![2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid structure](/static/products/1782/178270-52-5.webp)
2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid
TL;DR: 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid (CAS 178270-52-5) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyanophenyl)methylsulfanyl]acetic acid
Also Known As: 2-{[(4-cyanophenyl)methyl]sulfanyl}acetic acid, (4-Cyano-benzylsulfanyl)-acetic acid, (4-Cyanobenzylthio)acetic acid, 2-(4-Cyanobenzylthio)acetic acid, 2-[(4-cyanophenyl)methylsulfanyl]acetic acid
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.87608 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 353.3799 |
Chemical Identifiers
| CAS Number | 178270-52-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC(=O)O)C#N |
Product Overview
2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid (CAS 178270-52-5), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 2-[(4-cyanophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid
Property Insights of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid
The XLogP value of 1.87608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic 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-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid?
The CAS number of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid is 178270-52-5.
What is the molecular formula of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid?
The molecular formula of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid is C10H9NO2S.
What is the molecular weight of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid?
The molecular weight of 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid is 207.04 g/mol.
Where can I buy 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid?
You can request a quote for 2-{[(4-Cyanophenyl)methyl]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-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.