2-Chloro-5-(methylsulfanyl)benzoic acid
TL;DR: 2-Chloro-5-(methylsulfanyl)benzoic acid (CAS 51546-12-4) 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-chloro-5-methylsulfanylbenzoic acid
Also Known As: 2-Chloro-5-(methylthio)benzoic acid, null, 2-chloro-5-methylsulfanylbenzoic acid, 2-Chloro-5-(methylsulfanyl)benzoic acid, 2-Chloro-5-methylthio benzoic acid
| Molecular Formula | C8H7ClO2S |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.98553 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 51546-12-4 |
|---|---|
| SMILES | CSC1=CC(=C(C=C1)Cl)C(=O)O |
| InChIKey | HJDZJDJRUVAYTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-(methylsulfanyl)benzoic acid (CAS 51546-12-4), with molecular formula C8H7ClO2S and molecular weight 201.99 g/mol. IUPAC: 2-chloro-5-methylsulfanylbenzoic acid.
Chemical Property Profile of 2-Chloro-5-(methylsulfanyl)benzoic acid
Property Insights of 2-Chloro-5-(methylsulfanyl)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(methylsulfanyl)benzoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(methylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-(methylsulfanyl)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-Chloro-5-(methylsulfanyl)benzoic acid?
The CAS number of 2-Chloro-5-(methylsulfanyl)benzoic acid is 51546-12-4.
What is the molecular formula of 2-Chloro-5-(methylsulfanyl)benzoic acid?
The molecular formula of 2-Chloro-5-(methylsulfanyl)benzoic acid is C8H7ClO2S.
What is the molecular weight of 2-Chloro-5-(methylsulfanyl)benzoic acid?
The molecular weight of 2-Chloro-5-(methylsulfanyl)benzoic acid is 201.99 g/mol.
Where can I buy 2-Chloro-5-(methylsulfanyl)benzoic acid?
You can request a quote for 2-Chloro-5-(methylsulfanyl)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-Chloro-5-(methylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(methylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.