[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium

C107H90F15O6S8+5 — CID 158341333

IUPAC[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium
SMILESCS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1cc([S+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccccc1[S+](c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C24H25O2S2.C23H23O2S2.C21H12F9S.C20H13F6S.C19H17O2S2/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;24-27(25,22-13-7-8-14-22)23-17-15-21(16-18-23)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20;22-19(23,24)13-7-1-4-10-16(13)31(17-11-5-2-8-14(17)20(25,26)27)18-12-6-3-9-15(18)21(28,29)30;21-19(22,23)14-11-15(20(24,25)26)13-18(12-14)27(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-23(20,21)19-14-12-18(13-15-19)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;1-6,9-12,15-18,22H,7-8,13-14H2;1-12H;1-13H;2-15H,1H3/q5*+1
InChIKeyGRESYJMFJMKZET-UHFFFAOYSA-N
MW2013.40 g/mol
LogP30.23
Rot. Bonds20

About [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium

[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium (PubChem CID 158341333) has the molecular formula C107H90F15O6S8+5 and a molecular weight of 2013.40 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium
PubChem CID158341333
Molecular FormulaC107H90F15O6S8+5
Molecular Weight2013.40 g/mol
Exact Mass2011.42
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium
SMILESCS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1cc([S+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccccc1[S+](c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C24H25O2S2.C23H23O2S2.C21H12F9S.C20H13F6S.C19H17O2S2/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;24-27(25,22-13-7-8-14-22)23-17-15-21(16-18-23)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20;22-19(23,24)13-7-1-4-10-16(13)31(17-11-5-2-8-14(17)20(25,26)27)18-12-6-3-9-15(18)21(28,29)30;21-19(22,23)14-11-15(20(24,25)26)13-18(12-14)27(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-23(20,21)19-14-12-18(13-15-19)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;1-6,9-12,15-18,22H,7-8,13-14H2;1-12H;1-13H;2-15H,1H3/q5*+1
InChIKeyGRESYJMFJMKZET-UHFFFAOYSA-N
XLogP30.23
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002013.40
LogP ≤ 530.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium with MolForge

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Related Compounds

(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;4-phenyl-1,4-oxathian-4-ium
CID 161250028
bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium;tris(4-methylphenyl)sulfanium
CID 159442033
(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
CID 155764700
bis((4-methylsulfonylphenyl)-diphenylsulfanium);bis(trifluoromethanesulfonate)
CID 158271504
bis(3-methylsulfonylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 157242036
bis(bis[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyloxyphenyl]-phenylsulfanium);1,1,1,2,2,2-hexafluoroethane
CID 87552238
3,4-bis(trifluoromethyl)benzenesulfonate;triphenylsulfanium
CID 23084989
4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene
CID 71114454
[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
CID 66927536
4-cycloheptylsulfonylbenzoic acid
CID 82925823
diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;trifluoromethanesulfonate
CID 18759328
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium (CID 158341333) is [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium is CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1cc([S+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccccc1[S+](c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium?
The InChIKey is GRESYJMFJMKZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2S2.C23H23O2S2.C21H12F9S.C20H13F6S.C19H17O2S2/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;24-27(25,22-13-7-8-14-22)23-17-15-21(16-18-23)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20;22-19(23,24)13-7-1-4-10-16(13)31(17-11-5-2-8-14(17)20(25,26)27)18-12-6-3-9-15(18)21(28,29)30;21-19(22,23)14-11-15(20(24,25)26)13-18(12-14)27(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-23(20,21)19-14-12-18(13-15-19)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;1-6,9-12,15-18,22H,7-8,13-14H2;1-12H;1-13H;2-15H,1H3/q5*+1.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium?
[3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium has a molecular weight of 2013.40 g/mol, XLogP of 30.23, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;tris[2-(trifluoromethyl)phenyl]sulfanium is sourced from PubChem (CID 158341333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).