![2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid structure](/static/products/3173/317324-72-4.webp)
2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid
TL;DR: 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid (CAS 317324-72-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
Also Known As: 2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid, BAS 00485096, [(3-cyano-4,5,6-trimethylpyridin-2-yl)thio]acetic acid, 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetic acid, [(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 317324-72-4 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)O)C#N)C |
| InChIKey | QPCNBFPZOZJIHO-UHFFFAOYSA-N |
Product Overview
2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid (CAS 317324-72-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid
Property Insights of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]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 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid?
The CAS number of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid is 317324-72-4.
What is the molecular formula of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid is C11H12N2O2S.
What is the molecular weight of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid is 236.06 g/mol.
Where can I buy 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.