![2-[(Cyanomethyl)sulfanyl]benzoic acid structure](/static/products/2439/243984-86-3.webp)
2-[(Cyanomethyl)sulfanyl]benzoic acid
TL;DR: 2-[(Cyanomethyl)sulfanyl]benzoic acid (CAS 243984-86-3) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)benzoic acid
Also Known As: 2-[(cyanomethyl)sulfanyl]benzoic acid, 2-(cyanomethylsulfanyl)benzoic Acid, 2-[(cyanomethyl)thio]benzoic acid, 2-((Cyanomethyl)thio)benzoic acid, 2-((Cyanomethyl)thio)benzoicacid
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.00048 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 356.8775 |
Chemical Identifiers
| CAS Number | 243984-86-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC#N |
Product Overview
2-[(Cyanomethyl)sulfanyl]benzoic acid (CAS 243984-86-3), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 2-(cyanomethylsulfanyl)benzoic acid.
Chemical Property Profile of 2-[(Cyanomethyl)sulfanyl]benzoic acid
Property Insights of 2-[(Cyanomethyl)sulfanyl]benzoic acid
The XLogP value of 2.00048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Cyanomethyl)sulfanyl]benzoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Cyanomethyl)sulfanyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(Cyanomethyl)sulfanyl]benzoic acid has 1 hydrogen bond donor(s) and 3 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-[(Cyanomethyl)sulfanyl]benzoic acid?
The CAS number of 2-[(Cyanomethyl)sulfanyl]benzoic acid is 243984-86-3.
What is the molecular formula of 2-[(Cyanomethyl)sulfanyl]benzoic acid?
The molecular formula of 2-[(Cyanomethyl)sulfanyl]benzoic acid is C9H7NO2S.
What is the molecular weight of 2-[(Cyanomethyl)sulfanyl]benzoic acid?
The molecular weight of 2-[(Cyanomethyl)sulfanyl]benzoic acid is 193.02 g/mol.
Where can I buy 2-[(Cyanomethyl)sulfanyl]benzoic acid?
You can request a quote for 2-[(Cyanomethyl)sulfanyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Cyanomethyl)sulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Cyanomethyl)sulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.