(4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium

C151H143F43N7O34S22+7 — CID 159672848

IUPAC(4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1CC(=O)O.COc1ccc([SH2+])cc1.Fc1ccc([SH2+])cc1.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)ccc1C1CCCCC1
InChIInChI=1S/C36H45S.C23H22O3S.C22H23OS.C18H14OS.C18H14S2.C7H8OS.C6H5FS.7C3HF6NO4S2/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30;1-16-4-8-19(9-5-16)27(20-10-6-17(2)7-11-20)21-12-13-22(26-3)18(14-21)15-23(24)25;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;2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-8-6-2-4-7(9)5-3-6;7-5-1-3-6(8)4-2-5;7*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-30H,1-15H2;4-14H,15H2,1-3H3;4-17H,2-3,18H2,1H3;2*1-14H;2-5,9H,1H3;1-4,8H;7*10H/q+1;;+1;;;;;;;;;;;/p+5
InChIKeyMUFGBJXSKWTNMP-UHFFFAOYSA-S
MW4122.21 g/mol
LogP34.23
Rot. Bonds26

About (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium

(4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium (PubChem CID 159672848) has the molecular formula C151H143F43N7O34S22+7 and a molecular weight of 4122.21 g/mol. Its IUPAC name is (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium.

Molecular Properties

Compound Name(4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium
PubChem CID159672848
Molecular FormulaC151H143F43N7O34S22+7
Molecular Weight4122.21 g/mol
Exact Mass4118.28
IUPAC Name(4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1CC(=O)O.COc1ccc([SH2+])cc1.Fc1ccc([SH2+])cc1.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)ccc1C1CCCCC1
InChIInChI=1S/C36H45S.C23H22O3S.C22H23OS.C18H14OS.C18H14S2.C7H8OS.C6H5FS.7C3HF6NO4S2/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30;1-16-4-8-19(9-5-16)27(20-10-6-17(2)7-11-20)21-12-13-22(26-3)18(14-21)15-23(24)25;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;2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-8-6-2-4-7(9)5-3-6;7-5-1-3-6(8)4-2-5;7*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-30H,1-15H2;4-14H,15H2,1-3H3;4-17H,2-3,18H2,1H3;2*1-14H;2-5,9H,1H3;1-4,8H;7*10H/q+1;;+1;;;;;;;;;;;/p+5
InChIKeyMUFGBJXSKWTNMP-UHFFFAOYSA-S
XLogP34.23
TPSA647.39 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004122.21
LogP ≤ 534.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium?
The IUPAC name of (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium (CID 159672848) is (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium.
What is the SMILES notation for (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium?
The canonical SMILES for (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium is CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1CC(=O)O.COc1ccc([SH2+])cc1.Fc1ccc([SH2+])cc1.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Sc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)ccc1C1CCCCC1.
What is the InChIKey of (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium?
The InChIKey is MUFGBJXSKWTNMP-UHFFFAOYSA-S. The full InChI is InChI=1S/C36H45S.C23H22O3S.C22H23OS.C18H14OS.C18H14S2.C7H8OS.C6H5FS.7C3HF6NO4S2/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30;1-16-4-8-19(9-5-16)27(20-10-6-17(2)7-11-20)21-12-13-22(26-3)18(14-21)15-23(24)25;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;2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-8-6-2-4-7(9)5-3-6;7-5-1-3-6(8)4-2-5;7*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-30H,1-15H2;4-14H,15H2,1-3H3;4-17H,2-3,18H2,1H3;2*1-14H;2-5,9H,1H3;1-4,8H;7*10H/q+1;;+1;;;;;;;;;;;/p+5.
What are the key properties of (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium?
(4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium has a molecular weight of 4122.21 g/mol, XLogP of 34.23, 26 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-diphenylsulfanium;[3-(carboxymethyl)-4-methoxyphenyl]-bis(4-methylphenyl)sulfanium;diphenyl-(4-sulfanylphenyl)sulfanium;(4-fluorophenyl)sulfanium;heptakis(4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide);(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)sulfanium;tris(4-cyclohexylphenyl)sulfanium is sourced from PubChem (CID 159672848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).