3-(4-methoxyphenyl)sulfanylpyridine

C12H11NOS — CID 86057671

IUPAC3-(4-methoxyphenyl)sulfanylpyridine
SMILESCOc1ccc(Sc2cccnc2)cc1
InChIInChI=1S/C12H11NOS/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12/h2-9H,1H3
InChIKeyDSDDBRBPKVSACO-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.24
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfanylpyridine

3-(4-methoxyphenyl)sulfanylpyridine (PubChem CID 86057671) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanylpyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanylpyridine
PubChem CID86057671
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name3-(4-methoxyphenyl)sulfanylpyridine
SMILESCOc1ccc(Sc2cccnc2)cc1
InChIInChI=1S/C12H11NOS/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12/h2-9H,1H3
InChIKeyDSDDBRBPKVSACO-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)sulfanylpyridine 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 3-(4-methoxyphenyl)sulfanylpyridine?
The IUPAC name of 3-(4-methoxyphenyl)sulfanylpyridine (CID 86057671) is 3-(4-methoxyphenyl)sulfanylpyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanylpyridine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanylpyridine is COc1ccc(Sc2cccnc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanylpyridine?
The InChIKey is DSDDBRBPKVSACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanylpyridine?
3-(4-methoxyphenyl)sulfanylpyridine has a molecular weight of 217.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanylpyridine is sourced from PubChem (CID 86057671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).