bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium

C122H89F29OS6+6 — CID 161146469

IUPACbis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium
SMILESCCc1c(F)cc([S+](c2ccccc2)c2cc(F)c(CC)c(F)c2)cc1F.COc1c(C)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1C.Cc1c(F)cc([S+](c2ccccc2)c2cc(F)c(C)c(F)c2)cc1F.Cc1cc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1.Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C22H14F9S.C22H19F4S.C21H17F4OS.C20H15F4S.C19H13F4S.C18H11F4S/c1-13-7-14(20(23,24)25)10-18(8-13)32(17-5-3-2-4-6-17)19-11-15(21(26,27)28)9-16(12-19)22(29,30)31;1-3-17-19(23)10-15(11-20(17)24)27(14-8-6-5-7-9-14)16-12-21(25)18(4-2)22(26)13-16;1-12-4-18(5-13(2)21(12)26-3)27(19-8-14(22)6-15(23)9-19)20-10-16(24)7-17(25)11-20;1-12-17(21)8-15(9-18(12)22)25(14-6-4-3-5-7-14)16-10-19(23)13(2)20(24)11-16;1-12-2-4-17(5-3-12)24(18-8-13(20)6-14(21)9-18)19-10-15(22)7-16(23)11-19;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18/h2-12H,1H3;5-13H,3-4H2,1-2H3;4-11H,1-3H3;3-11H,1-2H3;2-11H,1H3;1-11H/q6*+1
InChIKeyUOCRUZRDQPZZJP-UHFFFAOYSA-N
MW2314.40 g/mol
LogP37.51
Rot. Bonds21

About bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium

bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium (PubChem CID 161146469) has the molecular formula C122H89F29OS6+6 and a molecular weight of 2314.40 g/mol. Its IUPAC name is bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium.

Molecular Properties

Compound Namebis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium
PubChem CID161146469
Molecular FormulaC122H89F29OS6+6
Molecular Weight2314.40 g/mol
Exact Mass2312.47
IUPAC Namebis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium
SMILESCCc1c(F)cc([S+](c2ccccc2)c2cc(F)c(CC)c(F)c2)cc1F.COc1c(C)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1C.Cc1c(F)cc([S+](c2ccccc2)c2cc(F)c(C)c(F)c2)cc1F.Cc1cc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1.Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C22H14F9S.C22H19F4S.C21H17F4OS.C20H15F4S.C19H13F4S.C18H11F4S/c1-13-7-14(20(23,24)25)10-18(8-13)32(17-5-3-2-4-6-17)19-11-15(21(26,27)28)9-16(12-19)22(29,30)31;1-3-17-19(23)10-15(11-20(17)24)27(14-8-6-5-7-9-14)16-12-21(25)18(4-2)22(26)13-16;1-12-4-18(5-13(2)21(12)26-3)27(19-8-14(22)6-15(23)9-19)20-10-16(24)7-17(25)11-20;1-12-17(21)8-15(9-18(12)22)25(14-6-4-3-5-7-14)16-10-19(23)13(2)20(24)11-16;1-12-2-4-17(5-3-12)24(18-8-13(20)6-14(21)9-18)19-10-15(22)7-16(23)11-19;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18/h2-12H,1H3;5-13H,3-4H2,1-2H3;4-11H,1-3H3;3-11H,1-2H3;2-11H,1H3;1-11H/q6*+1
InChIKeyUOCRUZRDQPZZJP-UHFFFAOYSA-N
XLogP37.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002314.40
LogP ≤ 537.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium?
The IUPAC name of bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium (CID 161146469) is bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium.
What is the SMILES notation for bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium?
The canonical SMILES for bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium is CCc1c(F)cc([S+](c2ccccc2)c2cc(F)c(CC)c(F)c2)cc1F.COc1c(C)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1C.Cc1c(F)cc([S+](c2ccccc2)c2cc(F)c(C)c(F)c2)cc1F.Cc1cc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1.Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium?
The InChIKey is UOCRUZRDQPZZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F9S.C22H19F4S.C21H17F4OS.C20H15F4S.C19H13F4S.C18H11F4S/c1-13-7-14(20(23,24)25)10-18(8-13)32(17-5-3-2-4-6-17)19-11-15(21(26,27)28)9-16(12-19)22(29,30)31;1-3-17-19(23)10-15(11-20(17)24)27(14-8-6-5-7-9-14)16-12-21(25)18(4-2)22(26)13-16;1-12-4-18(5-13(2)21(12)26-3)27(19-8-14(22)6-15(23)9-19)20-10-16(24)7-17(25)11-20;1-12-17(21)8-15(9-18(12)22)25(14-6-4-3-5-7-14)16-10-19(23)13(2)20(24)11-16;1-12-2-4-17(5-3-12)24(18-8-13(20)6-14(21)9-18)19-10-15(22)7-16(23)11-19;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18/h2-12H,1H3;5-13H,3-4H2,1-2H3;4-11H,1-3H3;3-11H,1-2H3;2-11H,1H3;1-11H/q6*+1.
What are the key properties of bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium?
bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium has a molecular weight of 2314.40 g/mol, XLogP of 37.51, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluoro-4-methylphenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)sulfanium;bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;bis(4-ethyl-3,5-difluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium is sourced from PubChem (CID 161146469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).