2-((4-Chlorophenyl)sulfanyl)acetic acid
TL;DR: 2-((4-Chlorophenyl)sulfanyl)acetic acid (CAS 3405-88-7) is a chemical compound with molecular formula C8H7ClO2S and molecular weight 201.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanylacetic acid
Also Known As: (4-Chlorophenylthio)acetic acid, 2-((4-Chlorophenyl)thio)acetic acid, aceticacid, [(4-chlorophenyl)thio]acetic acid, p-Chlorophenylthioacetic acid
| Molecular Formula | C8H7ClO2S |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.98553 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 3405-88-7 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC(=O)O)Cl |
| InChIKey | YPKLXLYGMAWXDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Chlorophenyl)sulfanyl)acetic acid (CAS 3405-88-7), with molecular formula C8H7ClO2S and molecular weight 201.99 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((4-Chlorophenyl)sulfanyl)acetic acid
Property Insights of 2-((4-Chlorophenyl)sulfanyl)acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Chlorophenyl)sulfanyl)acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Chlorophenyl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)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-Chlorophenyl)sulfanyl)acetic acid?
The CAS number of 2-((4-Chlorophenyl)sulfanyl)acetic acid is 3405-88-7.
What is the molecular formula of 2-((4-Chlorophenyl)sulfanyl)acetic acid?
The molecular formula of 2-((4-Chlorophenyl)sulfanyl)acetic acid is C8H7ClO2S.
What is the molecular weight of 2-((4-Chlorophenyl)sulfanyl)acetic acid?
The molecular weight of 2-((4-Chlorophenyl)sulfanyl)acetic acid is 201.99 g/mol.
Where can I buy 2-((4-Chlorophenyl)sulfanyl)acetic acid?
You can request a quote for 2-((4-Chlorophenyl)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-Chlorophenyl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.