3-(4-Chlorophenyl)sulfanylbenzoic acid
TL;DR: 3-(4-Chlorophenyl)sulfanylbenzoic acid (CAS 141358-07-8) is a chemical compound with molecular formula C13H9ClO2S and molecular weight 264.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanylbenzoic acid
Also Known As: 3-[(4-Chlorophenyl)thio]benzoic acid, 3-(4-chlorophenyl)sulfanylbenzoic acid, 3-[(4-chlorophenyl)sulfanyl]benzoic acid, AE-641/00361059
| Molecular Formula | C13H9ClO2S |
|---|---|
| Molecular Weight | 264.00 g/mol |
| LogP | 4.1894 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0012 |
| Heavy Atoms | 17 |
| Complexity | 537.37067 |
Chemical Identifiers
| CAS Number | 141358-07-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
3-(4-Chlorophenyl)sulfanylbenzoic acid (CAS 141358-07-8), with molecular formula C13H9ClO2S and molecular weight 264.00 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanylbenzoic acid.
Chemical Property Profile of 3-(4-Chlorophenyl)sulfanylbenzoic acid
Property Insights of 3-(4-Chlorophenyl)sulfanylbenzoic acid
The XLogP value of 4.1894 indicates that 3-(4-Chlorophenyl)sulfanylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Chlorophenyl)sulfanylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)sulfanylbenzoic acid has 1 hydrogen bond donor(s) and 2 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-(4-Chlorophenyl)sulfanylbenzoic acid?
The CAS number of 3-(4-Chlorophenyl)sulfanylbenzoic acid is 141358-07-8.
What is the molecular formula of 3-(4-Chlorophenyl)sulfanylbenzoic acid?
The molecular formula of 3-(4-Chlorophenyl)sulfanylbenzoic acid is C13H9ClO2S.
What is the molecular weight of 3-(4-Chlorophenyl)sulfanylbenzoic acid?
The molecular weight of 3-(4-Chlorophenyl)sulfanylbenzoic acid is 264.00 g/mol.
Where can I buy 3-(4-Chlorophenyl)sulfanylbenzoic acid?
You can request a quote for 3-(4-Chlorophenyl)sulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)sulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.