3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid
TL;DR: 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid (CAS 5765-74-2) is a chemical compound with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-sulfanylprop-2-enoic acid
Also Known As: 3-CHLORO-ALPHA-MERCAPTOCINNAMIC ACID, 3-(3-chlorophenyl)-2-sulfanylprop-2-enoic acid, 3-(3-chlorophenyl)-2-sulfanyl-prop-2-enoic Acid
| Molecular Formula | C9H7ClO2S |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 2.6953 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.98553 |
| Heavy Atoms | 13 |
| Complexity | 360.38727 |
Chemical Identifiers
| CAS Number | 5765-74-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C=C(C(=O)O)S |
Product Overview
3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid (CAS 5765-74-2), with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol. IUPAC: 3-(3-chlorophenyl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid
Property Insights of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid
The XLogP value of 2.6953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid has 2 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-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid?
The CAS number of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid is 5765-74-2.
What is the molecular formula of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid?
The molecular formula of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid is C9H7ClO2S.
What is the molecular weight of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid?
The molecular weight of 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid is 213.99 g/mol.
Where can I buy 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid?
You can request a quote for 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorophenyl)-2-sulfanylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.