2-quinoxalin-2-ylsulfanylacetic acid

C10H8N2O2S — CID 736252

IUPAC2-quinoxalin-2-ylsulfanylacetic acid
SMILESO=C(O)CSc1cnc2ccccc2n1
InChIInChI=1S/C10H8N2O2S/c13-10(14)6-15-9-5-11-7-3-1-2-4-8(7)12-9/h1-5H,6H2,(H,13,14)
InChIKeyZBWZEFLYRWANSY-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.81
Rot. Bonds3

About 2-quinoxalin-2-ylsulfanylacetic acid

2-quinoxalin-2-ylsulfanylacetic acid (PubChem CID 736252) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-quinoxalin-2-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-quinoxalin-2-ylsulfanylacetic acid
PubChem CID736252
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-quinoxalin-2-ylsulfanylacetic acid
SMILESO=C(O)CSc1cnc2ccccc2n1
InChIInChI=1S/C10H8N2O2S/c13-10(14)6-15-9-5-11-7-3-1-2-4-8(7)12-9/h1-5H,6H2,(H,13,14)
InChIKeyZBWZEFLYRWANSY-UHFFFAOYSA-N
XLogP1.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-quinoxalin-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-quinoxalin-2-ylsulfanylacetic acid?
The IUPAC name of 2-quinoxalin-2-ylsulfanylacetic acid (CID 736252) is 2-quinoxalin-2-ylsulfanylacetic acid.
What is the SMILES notation for 2-quinoxalin-2-ylsulfanylacetic acid?
The canonical SMILES for 2-quinoxalin-2-ylsulfanylacetic acid is O=C(O)CSc1cnc2ccccc2n1.
What is the InChIKey of 2-quinoxalin-2-ylsulfanylacetic acid?
The InChIKey is ZBWZEFLYRWANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-10(14)6-15-9-5-11-7-3-1-2-4-8(7)12-9/h1-5H,6H2,(H,13,14).
What are the key properties of 2-quinoxalin-2-ylsulfanylacetic acid?
2-quinoxalin-2-ylsulfanylacetic acid has a molecular weight of 220.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinoxalin-2-ylsulfanylacetic acid is sourced from PubChem (CID 736252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).