Methyl 4-chloro-3-sulfanylbenzoate
TL;DR: Methyl 4-chloro-3-sulfanylbenzoate (CAS 353445-65-5) 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.
methyl 4-chloro-3-sulfanylbenzoate
Also Known As: methyl 4-chloro-3-sulfanylbenzoate, Methyl 4-chloro-3-sulfanyl-benzoate, 4-Chloro-3-mercapto-benzoic acid methyl ester
| Molecular Formula | C8H7ClO2S |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 2.4153 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.98553 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 353445-65-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Cl)S |
Product Overview
Methyl 4-chloro-3-sulfanylbenzoate (CAS 353445-65-5), with molecular formula C8H7ClO2S and molecular weight 201.99 g/mol. IUPAC: methyl 4-chloro-3-sulfanylbenzoate.
Chemical Property Profile of Methyl 4-chloro-3-sulfanylbenzoate
Property Insights of Methyl 4-chloro-3-sulfanylbenzoate
The XLogP value of 2.4153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-3-sulfanylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-chloro-3-sulfanylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-3-sulfanylbenzoate 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 Methyl 4-chloro-3-sulfanylbenzoate?
The CAS number of Methyl 4-chloro-3-sulfanylbenzoate is 353445-65-5.
What is the molecular formula of Methyl 4-chloro-3-sulfanylbenzoate?
The molecular formula of Methyl 4-chloro-3-sulfanylbenzoate is C8H7ClO2S.
What is the molecular weight of Methyl 4-chloro-3-sulfanylbenzoate?
The molecular weight of Methyl 4-chloro-3-sulfanylbenzoate is 201.99 g/mol.
Where can I buy Methyl 4-chloro-3-sulfanylbenzoate?
You can request a quote for Methyl 4-chloro-3-sulfanylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-3-sulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-3-sulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.