bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium

C153H159OS7+7 — CID 161465751

IUPACbis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39S.C22H23OS.2C21H21S.2C20H19S.C19H17S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h10-21H,1-9H3;4-17H,2-3,18H2,1H3;2*4-15H,1-3H3;2*3-15H,1-2H3;2-15H,1H3/q7*+1
InChIKeyWCKHQLXPCWMSQK-UHFFFAOYSA-N
MW2238.42 g/mol
LogP41.94
Rot. Bonds25

About bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium

bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium (PubChem CID 161465751) has the molecular formula C153H159OS7+7 and a molecular weight of 2238.42 g/mol. Its IUPAC name is bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
PubChem CID161465751
Molecular FormulaC153H159OS7+7
Molecular Weight2238.42 g/mol
Exact Mass2236.04
IUPAC Namebis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39S.C22H23OS.2C21H21S.2C20H19S.C19H17S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h10-21H,1-9H3;4-17H,2-3,18H2,1H3;2*4-15H,1-3H3;2*3-15H,1-2H3;2-15H,1H3/q7*+1
InChIKeyWCKHQLXPCWMSQK-UHFFFAOYSA-N
XLogP41.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002238.42
LogP ≤ 541.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium with MolForge

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Related Compounds

diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
CID 159034769
bis(4-fluorophenyl)-phenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 161050471
(4-tert-butyl-2-methylphenyl)-(4-tert-butylphenyl)-phenylsulfanium
CID 154007120
[4-(4-tert-butylphenoxy)phenyl]-diphenylsulfanium;[4-(4-tert-butylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;[4-(4-methylphenoxy)phenyl]-diphenylsulfanium;[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;(4-methylphenyl)-(4-phenoxyphenyl)-phenylsulfanium
CID 161018367
(4-tert-butyl-2,6-dimethylphenyl)-bis(4-methylphenyl)sulfanium
CID 58658264
bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium
CID 159573279
4-methylbenzenesulfonate;tris(4-butoxyphenyl)sulfanium
CID 162314273
(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium
CID 163549423
bis(4-octadecoxyphenyl)-phenylsulfanium hexafluorophosphate
CID 22342239
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenoxy]phenyl]-phenylsulfanium
CID 157231516
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium
CID 160516311
(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-(2-dodecylphenyl)-phenylsulfanium
CID 160706319

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium?
The IUPAC name of bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium (CID 161465751) is bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium.
What is the SMILES notation for bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium?
The canonical SMILES for bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium?
The InChIKey is WCKHQLXPCWMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39S.C22H23OS.2C21H21S.2C20H19S.C19H17S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h10-21H,1-9H3;4-17H,2-3,18H2,1H3;2*4-15H,1-3H3;2*3-15H,1-2H3;2-15H,1H3/q7*+1.
What are the key properties of bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium?
bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium has a molecular weight of 2238.42 g/mol, XLogP of 41.94, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 161465751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).