![[(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid structure](/static/products/3092/309279-80-9.webp)
[(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid
TL;DR: [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid (CAS 309279-80-9) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetic acid
Also Known As: [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid|CBMicro_016446|CCG-5432|2-((3-Cyano-6-methylpyridin-2-yl)thio)acetic acid|BAS 01102051|(3-cyano-6-methyl-2-pyridylthio)acetic acid|2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]acetic acid|BIM-0016429.P001|2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetic acid|2-(3-cyano-6-methyl-2-pyridylthio)acetic acid|AB00079300-01|acetic acid, [(3-cyano-6-methyl-2-pyridinyl)thio]-|2-((3-Cyano-6-methylpyridin-2-yl)thio)aceticacid|SR-01000525883-1|(3-Cyano-6-methyl-pyridin-2-ylsulfanyl)-acetic acid|[(3-cyano-6-methylpyridin-2-yl)sulfanyl]acetic acid|2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetic acid
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 309279-80-9 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C#N)SCC(=O)O |
| InChIKey | QYCYSQBOJXUZOE-UHFFFAOYSA-N |
Product Overview
[(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid (CAS 309279-80-9), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetic acid.
Chemical Property Profile of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid
Property Insights of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid?
The CAS number of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid is 309279-80-9.
What is the molecular formula of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid?
The molecular formula of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid is C9H8N2O2S.
What is the molecular weight of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid?
The molecular weight of [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid is 208.03 g/mol.
Where can I buy [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid?
You can request a quote for [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-Cyano-6-methylpyridin-2-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.