2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide

C166H158F12O22S13+4 — CID 158077609

IUPAC2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide
SMILESCC(=O)c1ccc2c(c1)c(=O)c1cc3ccccc3cc1[s+]2-c1ccc(C)cc1.CC(C)(C)c1ccc([S+]2c3ccccc3S(=O)c3ccccc32)cc1.COOOSc1c(C(C)C)cc(C(C)C)cc1C(C)C.COOOSc1c(C(C)C)cc(C(C)C)cc1C(C)C.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COc1ccc(-[s+]2c3cc4ccccc4cc3c(=O)c3c4ccccc4ccc32)cc1.CS(=O)(=O)[O-].Cc1ccc([S+]2c3ccc(C)cc3S(=O)c3cc(C)ccc32)cc1.O=S1c2ccccc2[S+](c2ccccc2)c2ccccc21
InChIInChI=1S/C28H19O2S.C26H19O2S.C22H21OS2.C21H19OS2.C18H13OS2.2C16H26O3S.2C9H6F6O3S.CH4O3S/c1-30-21-11-13-22(14-12-21)31-25-15-10-18-6-4-5-9-23(18)27(25)28(29)24-16-19-7-2-3-8-20(19)17-26(24)31;1-16-7-10-21(11-8-16)29-24-12-9-18(17(2)27)13-22(24)26(28)23-14-19-5-3-4-6-20(19)15-25(23)29;1-22(2,3)16-12-14-17(15-13-16)24-18-8-4-6-10-20(18)25(23)21-11-7-5-9-19(21)24;1-14-4-8-17(9-5-14)23-18-10-6-15(2)12-20(18)24(22)21-13-16(3)7-11-19(21)23;19-21-17-12-6-4-10-15(17)20(14-8-2-1-3-9-14)16-11-5-7-13-18(16)21;2*1-10(2)13-8-14(11(3)4)16(20-19-18-17-7)15(9-13)12(5)6;2*1-16-17-18-19-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;1-5(2,3)4/h2-17H,1H3;3-15H,1-2H3;4-15H,1-3H3;4-13H,1-3H3;1-13H;2*8-12H,1-7H3;2*2-4H,1H3;1H3,(H,2,3,4)/q5*+1;;;;;/p-1
InChIKeyGPZIILAWBHRKTB-UHFFFAOYSA-M
MW3149.91 g/mol
LogP47.96
Rot. Bonds29

About 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide

2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide (PubChem CID 158077609) has the molecular formula C166H158F12O22S13+4 and a molecular weight of 3149.91 g/mol. Its IUPAC name is 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide.

Molecular Properties

Compound Name2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide
PubChem CID158077609
Molecular FormulaC166H158F12O22S13+4
Molecular Weight3149.91 g/mol
Exact Mass3146.74
IUPAC Name2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide
SMILESCC(=O)c1ccc2c(c1)c(=O)c1cc3ccccc3cc1[s+]2-c1ccc(C)cc1.CC(C)(C)c1ccc([S+]2c3ccccc3S(=O)c3ccccc32)cc1.COOOSc1c(C(C)C)cc(C(C)C)cc1C(C)C.COOOSc1c(C(C)C)cc(C(C)C)cc1C(C)C.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COc1ccc(-[s+]2c3cc4ccccc4cc3c(=O)c3c4ccccc4ccc32)cc1.CS(=O)(=O)[O-].Cc1ccc([S+]2c3ccc(C)cc3S(=O)c3cc(C)ccc32)cc1.O=S1c2ccccc2[S+](c2ccccc2)c2ccccc21
InChIInChI=1S/C28H19O2S.C26H19O2S.C22H21OS2.C21H19OS2.C18H13OS2.2C16H26O3S.2C9H6F6O3S.CH4O3S/c1-30-21-11-13-22(14-12-21)31-25-15-10-18-6-4-5-9-23(18)27(25)28(29)24-16-19-7-2-3-8-20(19)17-26(24)31;1-16-7-10-21(11-8-16)29-24-12-9-18(17(2)27)13-22(24)26(28)23-14-19-5-3-4-6-20(19)15-25(23)29;1-22(2,3)16-12-14-17(15-13-16)24-18-8-4-6-10-20(18)25(23)21-11-7-5-9-19(21)24;1-14-4-8-17(9-5-14)23-18-10-6-15(2)12-20(18)24(22)21-13-16(3)7-11-19(21)23;19-21-17-12-6-4-10-15(17)20(14-8-2-1-3-9-14)16-11-5-7-13-18(16)21;2*1-10(2)13-8-14(11(3)4)16(20-19-18-17-7)15(9-13)12(5)6;2*1-16-17-18-19-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;1-5(2,3)4/h2-17H,1H3;3-15H,1-2H3;4-15H,1-3H3;4-13H,1-3H3;1-13H;2*8-12H,1-7H3;2*2-4H,1H3;1H3,(H,2,3,4)/q5*+1;;;;;/p-1
InChIKeyGPZIILAWBHRKTB-UHFFFAOYSA-M
XLogP47.96
TPSA279.61 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003149.91
LogP ≤ 547.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide with MolForge

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Related Compounds

4-(4-Butoxy-3,5-dimethylphenyl)-1,4-oxathian-4-ium;4-(4-butoxynaphthalen-1-yl)-1,4-oxathian-4-ium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;4-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium
CID 157260055
1-[8-Acetyl-5-(4-methylphenyl)-10-oxothianthren-5-ium-2-yl]ethanone;4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide;methanesulfonate;1-[8-methoxy-5-(4-methylphenyl)-10,10-dioxothianthren-5-ium-2-yl]ethanone;bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);12-(4-methylphenyl)benzo[b]thianthren-12-ium 5,5-dioxide;1-[5-(4-methylphenyl)-10,10-dioxothianthren-5-ium-2-yl]ethanone;10-(4-methylphenyl)thianthren-10-ium 5,5-dioxide
CID 157961380
1-(4-Acetylnaphthalen-1-yl)ethanone;1-(5-acetylnaphthalen-1-yl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;bis(4-methylphenyl)methanone;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfinylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
CID 158276615
1-[8-Acetyl-5-(4-methylphenyl)-10-oxothianthren-5-ium-2-yl]ethanone;4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide;methanesulfonate;1-[8-methoxy-5-(4-methylphenyl)-10,10-dioxothianthren-5-ium-2-yl]ethanone;bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);1-[5-(4-methylphenyl)-10,10-dioxothianthren-5-ium-2-yl]ethanone;10-(4-methylphenyl)thianthren-10-ium 5,5-dioxide;12-phenylbenzo[b]thianthren-12-ium 5,5-dioxide
CID 160350719
Bis(4-methoxyphenyl)-(4-methylbenzoyl)sulfanium;pyrene-1-sulfonate
CID 88040634
[4-(2-Acetyl-9-oxothioxanthen-10-ium-10-yl)phenyl] 2-methylpropanoate;[3,5-bis(fluoromethyl)phenyl]sulfonyloxidanium;[2,6-dimethyl-4-(9-oxothioxanthen-10-ium-10-yl)phenyl] 2-methylpropanoate;methanesulfonate;bis([4-(9-oxothioxanthen-10-ium-10-yl)phenyl] propanoate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;1,3,5-trimethyl-2-oxidoperoxysulfanylbenzene
CID 159122766
2-Acetyl-10-(4-acetylphenyl)thioxanthen-10-ium-9-one;2-acetyl-10-(4-tert-butylphenyl)thioxanthen-10-ium-9-one;2-acetyl-10-(4-methoxyphenyl)thioxanthen-10-ium-9-one;2,7-diacetyl-10-(4-methylphenyl)thioxanthen-10-ium-9-one;methanesulfonate;tetrakis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene)
CID 159421735
4-(2,5-Ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;5-phenylthianthren-5-ium;10-phenylthioxanthen-10-ium-9-one;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonate
CID 160822685
2-Acetyl-10-(4-acetylphenyl)thioxanthen-10-ium-9-one;2-acetyl-10-(4-tert-butylphenyl)thioxanthen-10-ium-9-one;2-acetyl-10-(4-methoxyphenyl)thioxanthen-10-ium-9-one;2,7-diacetyl-10-(4-methylphenyl)thioxanthen-10-ium-9-one;methanesulfonate;tris(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene)
CID 161890789
Anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene
CID 162182553

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide?
The IUPAC name of 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide (CID 158077609) is 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide.
What is the SMILES notation for 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide?
The canonical SMILES for 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide is CC(=O)c1ccc2c(c1)c(=O)c1cc3ccccc3cc1[s+]2-c1ccc(C)cc1.CC(C)(C)c1ccc([S+]2c3ccccc3S(=O)c3ccccc32)cc1.COOOSc1c(C(C)C)cc(C(C)C)cc1C(C)C.COOOSc1c(C(C)C)cc(C(C)C)cc1C(C)C.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COc1ccc(-[s+]2c3cc4ccccc4cc3c(=O)c3c4ccccc4ccc32)cc1.CS(=O)(=O)[O-].Cc1ccc([S+]2c3ccc(C)cc3S(=O)c3cc(C)ccc32)cc1.O=S1c2ccccc2[S+](c2ccccc2)c2ccccc21.
What is the InChIKey of 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide?
The InChIKey is GPZIILAWBHRKTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H19O2S.C26H19O2S.C22H21OS2.C21H19OS2.C18H13OS2.2C16H26O3S.2C9H6F6O3S.CH4O3S/c1-30-21-11-13-22(14-12-21)31-25-15-10-18-6-4-5-9-23(18)27(25)28(29)24-16-19-7-2-3-8-20(19)17-26(24)31;1-16-7-10-21(11-8-16)29-24-12-9-18(17(2)27)13-22(24)26(28)23-14-19-5-3-4-6-20(19)15-25(23)29;1-22(2,3)16-12-14-17(15-13-16)24-18-8-4-6-10-20(18)25(23)21-11-7-5-9-19(21)24;1-14-4-8-17(9-5-14)23-18-10-6-15(2)12-20(18)24(22)21-13-16(3)7-11-19(21)23;19-21-17-12-6-4-10-15(17)20(14-8-2-1-3-9-14)16-11-5-7-13-18(16)21;2*1-10(2)13-8-14(11(3)4)16(20-19-18-17-7)15(9-13)12(5)6;2*1-16-17-18-19-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;1-5(2,3)4/h2-17H,1H3;3-15H,1-2H3;4-15H,1-3H3;4-13H,1-3H3;1-13H;2*8-12H,1-7H3;2*2-4H,1H3;1H3,(H,2,3,4)/q5*+1;;;;;/p-1.
What are the key properties of 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide?
2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide has a molecular weight of 3149.91 g/mol, XLogP of 47.96, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide is sourced from PubChem (CID 158077609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).