1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene

C20H18S — CID 71378350

IUPAC1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene
SMILESCc1cc(Sc2ccccc2)c(-c2ccccc2)cc1C
InChIInChI=1S/C20H18S/c1-15-13-19(17-9-5-3-6-10-17)20(14-16(15)2)21-18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyBAGYMIVTLXJSCW-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.12
Rot. Bonds3

About 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene

1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene (PubChem CID 71378350) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene
PubChem CID71378350
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene
SMILESCc1cc(Sc2ccccc2)c(-c2ccccc2)cc1C
InChIInChI=1S/C20H18S/c1-15-13-19(17-9-5-3-6-10-17)20(14-16(15)2)21-18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyBAGYMIVTLXJSCW-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene?
The IUPAC name of 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene (CID 71378350) is 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene?
The canonical SMILES for 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene is Cc1cc(Sc2ccccc2)c(-c2ccccc2)cc1C.
What is the InChIKey of 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene?
The InChIKey is BAGYMIVTLXJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-15-13-19(17-9-5-3-6-10-17)20(14-16(15)2)21-18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene?
1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene has a molecular weight of 290.43 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene is sourced from PubChem (CID 71378350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).