[3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium

C253H235F8I9O36S10+10 — CID 159205279

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)C(=O)OCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)OCC(O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)Oc1ccccc1C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OC1CCCCC1C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C29H24IO4S.C28H28IO4S.C27H28IO4S.C26H26IO4S.C25H26IO4S.C25H24IO4S.C25H25O4S.C24H22IO4S.C23H16F6IO2S.C21H16F2IO2S/c1-29(2,30)28(32)34-26-16-10-9-15-25(26)27(31)33-21-17-19-24(20-18-21)35(22-11-5-3-6-12-22)23-13-7-4-8-14-23;1-20(29)27(30)33-26-15-9-8-14-25(26)28(31)32-21-16-18-24(19-17-21)34(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-21(28)27(30)31-20-10-4-9-15-26(29)32-22-16-18-25(19-17-22)33(23-11-5-2-6-12-23)24-13-7-3-8-14-24;1-20(27)26(29)30-19-9-8-14-25(28)31-21-15-17-24(18-16-21)32(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-25(2,26)24(28)30-18-19(27)17-29-20-13-15-23(16-14-20)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-19(26)25(28)29-18-8-13-24(27)30-20-14-16-23(17-15-20)31(21-9-4-2-5-10-21)22-11-6-3-7-12-22;1-25(2,3)24(27)28-18-23(26)29-19-14-16-22(17-15-19)30(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-18(25)24(27)28-17-16-23(26)29-19-12-14-22(15-13-19)30(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-14(30)21(31)32-17-7-9-19(10-8-17)33(18-5-3-2-4-6-18)20-12-15(22(24,25)26)11-16(13-20)23(27,28)29;1-14(24)21(25)26-17-7-9-19(10-8-17)27(18-5-3-2-4-6-18)20-12-15(22)11-16(23)13-20/h3-20H,1-2H3;2-7,10-13,16-20,25-26H,8-9,14-15H2,1H3;2-3,5-8,11-14,16-19,21H,4,9-10,15,20H2,1H3;2-7,10-13,15-18,20H,8-9,14,19H2,1H3;3-16,19,27H,17-18H2,1-2H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;4-17H,18H2,1-3H3;2-15,18H,16-17H2,1H3;2-14H,1H3;2-14H,1H3/q10*+1
InChIKeyKPUMIQXAQSUXGQ-UHFFFAOYSA-N
MW5466.42 g/mol
LogP61.74
Rot. Bonds77

About [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium

[3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium (PubChem CID 159205279) has the molecular formula C253H235F8I9O36S10+10 and a molecular weight of 5466.42 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium
PubChem CID159205279
Molecular FormulaC253H235F8I9O36S10+10
Molecular Weight5466.42 g/mol
Exact Mass5462.50
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)C(=O)OCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)OCC(O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)Oc1ccccc1C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OC1CCCCC1C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C29H24IO4S.C28H28IO4S.C27H28IO4S.C26H26IO4S.C25H26IO4S.C25H24IO4S.C25H25O4S.C24H22IO4S.C23H16F6IO2S.C21H16F2IO2S/c1-29(2,30)28(32)34-26-16-10-9-15-25(26)27(31)33-21-17-19-24(20-18-21)35(22-11-5-3-6-12-22)23-13-7-4-8-14-23;1-20(29)27(30)33-26-15-9-8-14-25(26)28(31)32-21-16-18-24(19-17-21)34(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-21(28)27(30)31-20-10-4-9-15-26(29)32-22-16-18-25(19-17-22)33(23-11-5-2-6-12-23)24-13-7-3-8-14-24;1-20(27)26(29)30-19-9-8-14-25(28)31-21-15-17-24(18-16-21)32(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-25(2,26)24(28)30-18-19(27)17-29-20-13-15-23(16-14-20)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-19(26)25(28)29-18-8-13-24(27)30-20-14-16-23(17-15-20)31(21-9-4-2-5-10-21)22-11-6-3-7-12-22;1-25(2,3)24(27)28-18-23(26)29-19-14-16-22(17-15-19)30(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-18(25)24(27)28-17-16-23(26)29-19-12-14-22(15-13-19)30(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-14(30)21(31)32-17-7-9-19(10-8-17)33(18-5-3-2-4-6-18)20-12-15(22(24,25)26)11-16(13-20)23(27,28)29;1-14(24)21(25)26-17-7-9-19(10-8-17)27(18-5-3-2-4-6-18)20-12-15(22)11-16(23)13-20/h3-20H,1-2H3;2-7,10-13,16-20,25-26H,8-9,14-15H2,1H3;2-3,5-8,11-14,16-19,21H,4,9-10,15,20H2,1H3;2-7,10-13,15-18,20H,8-9,14,19H2,1H3;3-16,19,27H,17-18H2,1-2H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;4-17H,18H2,1-3H3;2-15,18H,16-17H2,1H3;2-14H,1H3;2-14H,1H3/q10*+1
InChIKeyKPUMIQXAQSUXGQ-UHFFFAOYSA-N
XLogP61.74
TPSA476.56 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds77
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005466.42
LogP ≤ 561.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

1,1-Difluoro-2-[4-(2,3,6-triiodobenzoyl)oxybutanoyloxy]ethanesulfonate;diphenyl-[4-(2,3,6-triiodobenzoyl)oxyphenyl]sulfanium;tris(diphenyl-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]sulfanium);2,3,5,6-tetrafluoro-4-(2,3,6-triiodobenzoyl)oxybenzenesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,6-diiodobenzoyl)oxypropane-1-sulfonate;1,1,1-trifluoro-3-methylsulfonyl-3-(trifluoromethylsulfonyl)propane
CID 157169574
2-[4-Bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate
CID 159325821
2,2-Difluoro-2-[[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]methoxy]acetate;2,2-difluoro-2-[2-(2-hydroxy-3,5-diiodobenzoyl)oxyethoxy]acetate;2,2-difluoro-2-[4-iodo-2-(2,2,2-trifluoroethoxycarbonyl)phenoxy]acetate;2,2-difluoro-2-[[3-(2,4,6-triiodophenoxy)carbonyl-1-adamantyl]oxy]acetate;2,2-difluoro-2-[2-(2,4,6-triiodophenoxy)ethoxy]acetate;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)
CID 159471761
Bis[4-(2-iodoacetyl)oxyphenyl]-phenylsulfanium;bis(2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate);bis(2-hydroxy-2-methylpropanoate);bis([4-(4-iodobutanoyloxy)phenyl]-diphenylsulfanium);[3-(3-iodopropanoyloxy)phenyl]-diphenylsulfanium
CID 160958964
[3,5-Bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium
CID 161151895
[2,6-Bis(trifluoromethyl)phenyl]-(2-ethoxycarbonylphenyl)-phenylsulfanium;(2-ethoxycarbonylphenyl)-bis(4-fluorophenyl)sulfanium;(2-ethoxycarbonylphenyl)-[4-(2-methoxy-2-oxoethoxy)phenyl]-phenylsulfanium;(2-ethoxycarbonylphenyl)-[4-(3-methoxypropoxy)phenyl]-phenylsulfanium;[4-(2-hydroxyethoxy)phenyl]-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;(2-methoxycarbonylphenyl)-[4-(2-methoxyethoxy)-3,5-dimethylphenyl]-phenylsulfanium
CID 165076353
Diphenyl-[4-(2,3,6-triiodobenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]sulfanium;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-3,6-diiodobenzoate;4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl 2,3,6-triiodobenzoate
CID 167657543
Diphenyl-[4-[2-(2,3,4,6-tetraiodophenoxy)ethoxy]phenyl]sulfanium;diphenyl-[4-(2,3,6-triiodobenzoyl)oxyphenyl]sulfanium;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] 2,3,6-triiodobenzoate;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-3,6-diiodobenzoate
CID 167687080
Diphenyl-[4-[2-(2,3,6-triiodobenzoyl)oxybenzoyl]oxyphenyl]sulfanium;diphenyl-[4-[2-(2,3,6-triiodobenzoyl)oxycyclohexanecarbonyl]oxyphenyl]sulfanium;diphenyl-[4-[6-(2,3,6-triiodobenzoyl)oxyhexanoyloxy]phenyl]sulfanium;[4-[2-hydroxy-3-(2,3,6-triiodobenzoyl)oxypropoxy]phenyl]-diphenylsulfanium
CID 158871951
Diphenyl-[4-[2-(2,3,6-triiodobenzoyl)oxyacetyl]oxyphenyl]sulfanium;diphenyl-[4-[4-(2,3,6-triiodobenzoyl)oxybutanoyloxy]phenyl]sulfanium;diphenyl-[4-[5-(2,3,6-triiodobenzoyl)oxypentanoyloxy]phenyl]sulfanium;diphenyl-[4-[3-(2,3,6-triiodobenzoyl)oxypropanoyloxy]phenyl]sulfanium
CID 160033267
[4-[2-Hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium
CID 160053687
Diphenyl-[4-[2-(2,3,6-triiodobenzoyl)oxycyclohexanecarbonyl]oxyphenyl]sulfanium;diphenyl-[4-[6-(2,3,6-triiodobenzoyl)oxyhexanoyloxy]phenyl]sulfanium;diphenyl-[4-[5-(2,3,6-triiodobenzoyl)oxypentanoyloxy]phenyl]sulfanium;[4-[2-hydroxy-3-(2,3,6-triiodobenzoyl)oxypropoxy]phenyl]-diphenylsulfanium
CID 161490636

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium (CID 159205279) is [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium is CC(C)(C)C(=O)OCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)OCC(O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)Oc1ccccc1C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OC1CCCCC1C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium?
The InChIKey is KPUMIQXAQSUXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24IO4S.C28H28IO4S.C27H28IO4S.C26H26IO4S.C25H26IO4S.C25H24IO4S.C25H25O4S.C24H22IO4S.C23H16F6IO2S.C21H16F2IO2S/c1-29(2,30)28(32)34-26-16-10-9-15-25(26)27(31)33-21-17-19-24(20-18-21)35(22-11-5-3-6-12-22)23-13-7-4-8-14-23;1-20(29)27(30)33-26-15-9-8-14-25(26)28(31)32-21-16-18-24(19-17-21)34(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-21(28)27(30)31-20-10-4-9-15-26(29)32-22-16-18-25(19-17-22)33(23-11-5-2-6-12-23)24-13-7-3-8-14-24;1-20(27)26(29)30-19-9-8-14-25(28)31-21-15-17-24(18-16-21)32(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-25(2,26)24(28)30-18-19(27)17-29-20-13-15-23(16-14-20)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-19(26)25(28)29-18-8-13-24(27)30-20-14-16-23(17-15-20)31(21-9-4-2-5-10-21)22-11-6-3-7-12-22;1-25(2,3)24(27)28-18-23(26)29-19-14-16-22(17-15-19)30(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-18(25)24(27)28-17-16-23(26)29-19-12-14-22(15-13-19)30(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-14(30)21(31)32-17-7-9-19(10-8-17)33(18-5-3-2-4-6-18)20-12-15(22(24,25)26)11-16(13-20)23(27,28)29;1-14(24)21(25)26-17-7-9-19(10-8-17)27(18-5-3-2-4-6-18)20-12-15(22)11-16(23)13-20/h3-20H,1-2H3;2-7,10-13,16-20,25-26H,8-9,14-15H2,1H3;2-3,5-8,11-14,16-19,21H,4,9-10,15,20H2,1H3;2-7,10-13,15-18,20H,8-9,14,19H2,1H3;3-16,19,27H,17-18H2,1-2H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;4-17H,18H2,1-3H3;2-15,18H,16-17H2,1H3;2-14H,1H3;2-14H,1H3/q10*+1.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium?
[3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium has a molecular weight of 5466.42 g/mol, XLogP of 61.74, 77 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;(3,5-difluorophenyl)-[4-(2-iodopropanoyloxy)phenyl]-phenylsulfanium;[4-[2-(2,2-dimethylpropanoyloxy)acetyl]oxyphenyl]-diphenylsulfanium;[4-[2-hydroxy-3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxybenzoyl]oxyphenyl]-diphenylsulfanium;[4-[4-(2-iodopropanoyloxy)butanoyloxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)cyclohexanecarbonyl]oxyphenyl]-diphenylsulfanium;[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium;[4-[5-(2-iodopropanoyloxy)pentanoyloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodopropanoyloxy)propanoyloxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 159205279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).