chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

C101H81ClF15NO17S11 — CID 158212131

IUPACchloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
SMILESCCOc1ccc([SH+]c2ccc(C)cc2)cc1.C[S+](CCl)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.Sc1ccc([SH+]c2ccccc2)cc1.[O-]OOSc1c(F)c(F)c(F)c(F)c1F.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.[O-]OOSc1cccc2cc3ccccc3cc12.[SH2+]c1ccccc1
InChIInChI=1S/C16H13NO3S.C15H16OS.C14H10O3S.C12H15OS.C12H10S2.C8H10ClS.3C6HF5O3S.C6H6S/c18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-3-16-13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14;15-16-17-18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-10(7-9)8-5-3-2-4-6-8;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-1-2(8)4(10)6(15-14-13-12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-11,17-18H;4-11H,3H2,1-2H3;1-9,15H;1-3,6-7H,4-5,8-10H2;1-9,13H;2-6H,7H2,1H3;2*(H,12,13,14);12H;1-5,7H/q;;;+1;;+1;;;;/p-2
InChIKeyGCFAQYAFPWIUJC-UHFFFAOYSA-L
MW2253.91 g/mol
LogP23.89
Rot. Bonds24

About chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 158212131) has the molecular formula C101H81ClF15NO17S11 and a molecular weight of 2253.91 g/mol. Its IUPAC name is chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.

Molecular Properties

Compound Namechloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
PubChem CID158212131
Molecular FormulaC101H81ClF15NO17S11
Molecular Weight2253.91 g/mol
Exact Mass2251.19
IUPAC Namechloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
SMILESCCOc1ccc([SH+]c2ccc(C)cc2)cc1.C[S+](CCl)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.Sc1ccc([SH+]c2ccccc2)cc1.[O-]OOSc1c(F)c(F)c(F)c(F)c1F.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.[O-]OOSc1cccc2cc3ccccc3cc12.[SH2+]c1ccccc1
InChIInChI=1S/C16H13NO3S.C15H16OS.C14H10O3S.C12H15OS.C12H10S2.C8H10ClS.3C6HF5O3S.C6H6S/c18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-3-16-13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14;15-16-17-18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-10(7-9)8-5-3-2-4-6-8;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-1-2(8)4(10)6(15-14-13-12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-11,17-18H;4-11H,3H2,1-2H3;1-9,15H;1-3,6-7H,4-5,8-10H2;1-9,13H;2-6H,7H2,1H3;2*(H,12,13,14);12H;1-5,7H/q;;;+1;;+1;;;;/p-2
InChIKeyGCFAQYAFPWIUJC-UHFFFAOYSA-L
XLogP23.89
TPSA277.29 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.91
LogP ≤ 523.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone with MolForge

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Related Compounds

8-Anilinonaphthalene-2-sulfonic acid;anthracene-1-sulfonic acid;1-benzhydryl-4-octoxybenzene;bis(2-benzhydryl-1,3,5-trimethylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-phenylethanone;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid);bis(2,3,4,5,6-pentafluorobenzenesulfonic acid);toluene
CID 157386915
8-Anilinonaphthalene-2-sulfonic acid;anthracene-1-sulfonic acid;1-chloropropan-2-ylbenzene;2-cyclopentyl-1-phenylethanone;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;bis(2,3,4,5,6-pentafluorobenzenesulfonic acid);toluene
CID 157479087
2-butoxycarbonylbenzenesulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;(4-hydroxyphenyl)-phenylsulfanium;4-methylbenzenesulfonate;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;phenylsulfanium
CID 158304709
chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;4-ethyl-2,6-dimethylbenzenesulfonate;(4-methylphenyl)-phenylsulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158676148
chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);bis(1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159543256
anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium
CID 159898978
8-Anilinonaphthalene-2-sulfonic acid;1-benzhydryl-4-octoxybenzene;bis(2-benzhydryl-1,3,5-trimethylbenzene);2-cyclopentyl-1-phenylethanone;2,3,4,5,6-pentafluorobenzenesulfonic acid;toluene
CID 160163411
8-Anilinonaphthalene-2-sulfonate;anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;bis(2,3,4,5,6-pentafluorobenzenesulfonate);pentafluoro-lambda5-stibane;phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;fluoride
CID 160739975
chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 161659409
8-Anilinonaphthalene-2-sulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;1-oxidoperoxysulfanylanthracene;bis(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,4,6-trimethylbenzenesulfonate
CID 162189975

Frequently Asked Questions

What is the IUPAC name of chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
The IUPAC name of chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (CID 158212131) is chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.
What is the SMILES notation for chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
The canonical SMILES for chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone is CCOc1ccc([SH+]c2ccc(C)cc2)cc1.C[S+](CCl)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.Sc1ccc([SH+]c2ccccc2)cc1.[O-]OOSc1c(F)c(F)c(F)c(F)c1F.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.[O-]OOSc1cccc2cc3ccccc3cc12.[SH2+]c1ccccc1.
What is the InChIKey of chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
The InChIKey is GCFAQYAFPWIUJC-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13NO3S.C15H16OS.C14H10O3S.C12H15OS.C12H10S2.C8H10ClS.3C6HF5O3S.C6H6S/c18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-3-16-13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14;15-16-17-18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-10(7-9)8-5-3-2-4-6-8;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-1-2(8)4(10)6(15-14-13-12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-11,17-18H;4-11H,3H2,1-2H3;1-9,15H;1-3,6-7H,4-5,8-10H2;1-9,13H;2-6H,7H2,1H3;2*(H,12,13,14);12H;1-5,7H/q;;;+1;;+1;;;;/p-2.
What are the key properties of chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 2253.91 g/mol, XLogP of 23.89, 24 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;bis(2,3,4,5,6-pentafluorobenzenesulfonate);1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 158212131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).