2-pyridin-2-ylsulfanylacetic acid

C7H7NO2S — CID 654661

IUPAC2-pyridin-2-ylsulfanylacetic acid
SMILESO=C(O)CSc1ccccn1
InChIInChI=1S/C7H7NO2S/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)
InChIKeyIGJFLPNTKLFHMW-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.26
Rot. Bonds3

About 2-pyridin-2-ylsulfanylacetic acid

2-pyridin-2-ylsulfanylacetic acid (PubChem CID 654661) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylacetic acid
PubChem CID654661
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2-pyridin-2-ylsulfanylacetic acid
SMILESO=C(O)CSc1ccccn1
InChIInChI=1S/C7H7NO2S/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)
InChIKeyIGJFLPNTKLFHMW-UHFFFAOYSA-N
XLogP1.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pyridin-2-ylsulfanylacetic acid 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-pyridin-2-ylsulfanylacetic acid?
The IUPAC name of 2-pyridin-2-ylsulfanylacetic acid (CID 654661) is 2-pyridin-2-ylsulfanylacetic acid.
What is the SMILES notation for 2-pyridin-2-ylsulfanylacetic acid?
The canonical SMILES for 2-pyridin-2-ylsulfanylacetic acid is O=C(O)CSc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfanylacetic acid?
The InChIKey is IGJFLPNTKLFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10).
What are the key properties of 2-pyridin-2-ylsulfanylacetic acid?
2-pyridin-2-ylsulfanylacetic acid has a molecular weight of 169.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanylacetic acid is sourced from PubChem (CID 654661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).