(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium

C200H292Cl2F14N7O17S14+7 — CID 157156265

IUPAC(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(C[S+](c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27OS.C24H25S.C22H21Cl2S.C19H17S.C18H15S.C16H25OS.C12H15OS.7C7H13F2NO2S.14CH4/c27-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-28(24-12-6-2-7-13-24)25-14-8-3-9-15-25;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-22(2,3)16-4-10-19(11-5-16)25(20-12-6-17(23)7-13-20)21-14-8-18(24)9-15-21;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;7*1-7(8,9)13(11,12)10-5-3-2-4-6-10;;;;;;;;;;;;;;/h2-3,6-9,12-19,21H,1,4-5,10-11,20H2;2-3,6-9,12-20H,1,4-5,10-11H2;4-15H,1-3H3;2-15H,1H3;1-15H;7-11H,3-6,12-14H2,1-2H3;1-3,6-7H,4-5,8-10H2;7*2-6H2,1H3;14*1H4/q7*+1;;;;;;;;;;;;;;;;;;;;;
InChIKeyALVOADHOUYEVRZ-UHFFFAOYSA-N
MW3852.38 g/mol
LogP55.92
Rot. Bonds45

About (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium

(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium (PubChem CID 157156265) has the molecular formula C200H292Cl2F14N7O17S14+7 and a molecular weight of 3852.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium.

Molecular Properties

Compound Name(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
PubChem CID157156265
Molecular FormulaC200H292Cl2F14N7O17S14+7
Molecular Weight3852.38 g/mol
Exact Mass3847.74
IUPAC Name(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(C[S+](c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27OS.C24H25S.C22H21Cl2S.C19H17S.C18H15S.C16H25OS.C12H15OS.7C7H13F2NO2S.14CH4/c27-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-28(24-12-6-2-7-13-24)25-14-8-3-9-15-25;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-22(2,3)16-4-10-19(11-5-16)25(20-12-6-17(23)7-13-20)21-14-8-18(24)9-15-21;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;7*1-7(8,9)13(11,12)10-5-3-2-4-6-10;;;;;;;;;;;;;;/h2-3,6-9,12-19,21H,1,4-5,10-11,20H2;2-3,6-9,12-20H,1,4-5,10-11H2;4-15H,1-3H3;2-15H,1H3;1-15H;7-11H,3-6,12-14H2,1-2H3;1-3,6-7H,4-5,8-10H2;7*2-6H2,1H3;14*1H4/q7*+1;;;;;;;;;;;;;;;;;;;;;
InChIKeyALVOADHOUYEVRZ-UHFFFAOYSA-N
XLogP55.92
TPSA312.87 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds45
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003852.38
LogP ≤ 555.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?
The IUPAC name of (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium (CID 157156265) is (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium.
What is the SMILES notation for (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?
The canonical SMILES for (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(C[S+](c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?
The InChIKey is ALVOADHOUYEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27OS.C24H25S.C22H21Cl2S.C19H17S.C18H15S.C16H25OS.C12H15OS.7C7H13F2NO2S.14CH4/c27-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-28(24-12-6-2-7-13-24)25-14-8-3-9-15-25;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-22(2,3)16-4-10-19(11-5-16)25(20-12-6-17(23)7-13-20)21-14-8-18(24)9-15-21;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;7*1-7(8,9)13(11,12)10-5-3-2-4-6-10;;;;;;;;;;;;;;/h2-3,6-9,12-19,21H,1,4-5,10-11,20H2;2-3,6-9,12-20H,1,4-5,10-11H2;4-15H,1-3H3;2-15H,1H3;1-15H;7-11H,3-6,12-14H2,1-2H3;1-3,6-7H,4-5,8-10H2;7*2-6H2,1H3;14*1H4/q7*+1;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium?
(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium has a molecular weight of 3852.38 g/mol, XLogP of 55.92, 45 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium is sourced from PubChem (CID 157156265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).