![Benzoic acid, 2-[(4-chlorophenyl)thio]- structure](/static/products/6469/6469-85-8.webp)
Benzoic acid, 2-[(4-chlorophenyl)thio]-
TL;DR: Benzoic acid, 2-[(4-chlorophenyl)thio]- (CAS 6469-85-8) 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.
2-(4-chlorophenyl)sulfanylbenzoic acid
Also Known As: NIFURQUINAZOL, Benzoic acid, 2-[(4-chlorophenyl)thio]-, 2-(4-Chlorophenylthio)benzoic acid, 2-(4-chlorophenyl)sulfanylbenzoic acid, 2-[(4-Chlorophenyl)thio]benzoic acid
| Molecular Formula | C13H9ClO2S |
|---|---|
| Molecular Weight | 264.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0012 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 6469-85-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)Cl |
| InChIKey | NKMIZDAAUIGVMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-[(4-chlorophenyl)thio]- (CAS 6469-85-8), with molecular formula C13H9ClO2S and molecular weight 264.00 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(4-chlorophenyl)thio]-
Property Insights of Benzoic acid, 2-[(4-chlorophenyl)thio]-
The XLogP value of 4.1 indicates that Benzoic acid, 2-[(4-chlorophenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[(4-chlorophenyl)thio]-. Following Lipinski's Rule of Five, Benzoic acid, 2-[(4-chlorophenyl)thio]- 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 Benzoic acid, 2-[(4-chlorophenyl)thio]-?
The CAS number of Benzoic acid, 2-[(4-chlorophenyl)thio]- is 6469-85-8.
What is the molecular formula of Benzoic acid, 2-[(4-chlorophenyl)thio]-?
The molecular formula of Benzoic acid, 2-[(4-chlorophenyl)thio]- is C13H9ClO2S.
What is the molecular weight of Benzoic acid, 2-[(4-chlorophenyl)thio]-?
The molecular weight of Benzoic acid, 2-[(4-chlorophenyl)thio]- is 264.00 g/mol.
Where can I buy Benzoic acid, 2-[(4-chlorophenyl)thio]-?
You can request a quote for Benzoic acid, 2-[(4-chlorophenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(4-chlorophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(4-chlorophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.