2-(4-methyl-2-phenylsulfanylphenyl)pyridine

C18H15NS — CID 122394964

IUPAC2-(4-methyl-2-phenylsulfanylphenyl)pyridine
SMILESCc1ccc(-c2ccccn2)c(Sc2ccccc2)c1
InChIInChI=1S/C18H15NS/c1-14-10-11-16(17-9-5-6-12-19-17)18(13-14)20-15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyKOIZCRNTVZVQGY-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.21
Rot. Bonds3

About 2-(4-methyl-2-phenylsulfanylphenyl)pyridine

2-(4-methyl-2-phenylsulfanylphenyl)pyridine (PubChem CID 122394964) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-phenylsulfanylphenyl)pyridine
PubChem CID122394964
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name2-(4-methyl-2-phenylsulfanylphenyl)pyridine
SMILESCc1ccc(-c2ccccn2)c(Sc2ccccc2)c1
InChIInChI=1S/C18H15NS/c1-14-10-11-16(17-9-5-6-12-19-17)18(13-14)20-15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyKOIZCRNTVZVQGY-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methyl-2-phenylsulfanylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylsulfanylphenyl)pyridine?
The IUPAC name of 2-(4-methyl-2-phenylsulfanylphenyl)pyridine (CID 122394964) is 2-(4-methyl-2-phenylsulfanylphenyl)pyridine.
What is the SMILES notation for 2-(4-methyl-2-phenylsulfanylphenyl)pyridine?
The canonical SMILES for 2-(4-methyl-2-phenylsulfanylphenyl)pyridine is Cc1ccc(-c2ccccn2)c(Sc2ccccc2)c1.
What is the InChIKey of 2-(4-methyl-2-phenylsulfanylphenyl)pyridine?
The InChIKey is KOIZCRNTVZVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-14-10-11-16(17-9-5-6-12-19-17)18(13-14)20-15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 2-(4-methyl-2-phenylsulfanylphenyl)pyridine?
2-(4-methyl-2-phenylsulfanylphenyl)pyridine has a molecular weight of 277.39 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylsulfanylphenyl)pyridine is sourced from PubChem (CID 122394964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).