2-(2-methylsulfanylphenyl)pyridine

C12H11NS — CID 21224766

IUPAC2-(2-methylsulfanylphenyl)pyridine
SMILESCSc1ccccc1-c1ccccn1
InChIInChI=1S/C12H11NS/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-9H,1H3
InChIKeyZGMPLDOPZMWKLW-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.47
Rot. Bonds2

About 2-(2-methylsulfanylphenyl)pyridine

2-(2-methylsulfanylphenyl)pyridine (PubChem CID 21224766) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)pyridine
PubChem CID21224766
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2-(2-methylsulfanylphenyl)pyridine
SMILESCSc1ccccc1-c1ccccn1
InChIInChI=1S/C12H11NS/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-9H,1H3
InChIKeyZGMPLDOPZMWKLW-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)pyridine?
The IUPAC name of 2-(2-methylsulfanylphenyl)pyridine (CID 21224766) is 2-(2-methylsulfanylphenyl)pyridine.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)pyridine?
The canonical SMILES for 2-(2-methylsulfanylphenyl)pyridine is CSc1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)pyridine?
The InChIKey is ZGMPLDOPZMWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-9H,1H3.
What are the key properties of 2-(2-methylsulfanylphenyl)pyridine?
2-(2-methylsulfanylphenyl)pyridine has a molecular weight of 201.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)pyridine is sourced from PubChem (CID 21224766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).