1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene

C36H34S2 — CID 19795291

IUPAC1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene
SMILESc1ccc(CSC(Cc2ccc(CC(SCc3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H34S2/c1-5-13-31(14-6-1)27-37-35(33-17-9-3-10-18-33)25-29-21-23-30(24-22-29)26-36(34-19-11-4-12-20-34)38-28-32-15-7-2-8-16-32/h1-24,35-36H,25-28H2
InChIKeyKXUSOYPTMOJMCP-UHFFFAOYSA-N
MW530.80 g/mol
LogP10.12
Rot. Bonds12

About 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene

1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene (PubChem CID 19795291) has the molecular formula C36H34S2 and a molecular weight of 530.80 g/mol. Its IUPAC name is 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene.

Molecular Properties

Compound Name1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene
PubChem CID19795291
Molecular FormulaC36H34S2
Molecular Weight530.80 g/mol
Exact Mass530.21
IUPAC Name1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene
SMILESc1ccc(CSC(Cc2ccc(CC(SCc3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H34S2/c1-5-13-31(14-6-1)27-37-35(33-17-9-3-10-18-33)25-29-21-23-30(24-22-29)26-36(34-19-11-4-12-20-34)38-28-32-15-7-2-8-16-32/h1-24,35-36H,25-28H2
InChIKeyKXUSOYPTMOJMCP-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.80
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzylsulfanyl-2-methylpropyl)benzene
CID 13107886
[[2-bromo-4-[(1-phenyl-2-pyridin-4-ylethyl)sulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid
CID 18342279
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
O-methyl 1,2-diphenylethylsulfanylmethanethioate
CID 101262820
N-[benzylsulfanyl(phenyl)methyl]-N-ethylethanamine
CID 10424084
(1R)-1,2-diphenylethanol
CID 1379022
3-benzylsulfanyl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 86240848
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64622173
(2-diethoxyphosphorylsulfanyl-2-phenylethyl)benzene
CID 10545806
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene?
The IUPAC name of 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene (CID 19795291) is 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene.
What is the SMILES notation for 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene?
The canonical SMILES for 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene is c1ccc(CSC(Cc2ccc(CC(SCc3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene?
The InChIKey is KXUSOYPTMOJMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34S2/c1-5-13-31(14-6-1)27-37-35(33-17-9-3-10-18-33)25-29-21-23-30(24-22-29)26-36(34-19-11-4-12-20-34)38-28-32-15-7-2-8-16-32/h1-24,35-36H,25-28H2.
What are the key properties of 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene?
1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene has a molecular weight of 530.80 g/mol, XLogP of 10.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene is sourced from PubChem (CID 19795291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).