3-(4-Methylphenyl)sulfanylprop-2-enoic acid
TL;DR: 3-(4-Methylphenyl)sulfanylprop-2-enoic acid (CAS 710-37-2) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanylprop-2-enoic acid
Also Known As: 3-(4-methylphenyl)sulfanylprop-2-enoic acid, (2Z)-3-[(4-methylphenyl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 710-37-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC=CC(=O)O |
| InChIKey | VKDXMULQZDVYFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methylphenyl)sulfanylprop-2-enoic acid (CAS 710-37-2), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 3-(4-methylphenyl)sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid
Property Insights of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)sulfanylprop-2-enoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylphenyl)sulfanylprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)sulfanylprop-2-enoic 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 3-(4-Methylphenyl)sulfanylprop-2-enoic acid?
The CAS number of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid is 710-37-2.
What is the molecular formula of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid?
The molecular formula of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid is C10H10O2S.
What is the molecular weight of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid?
The molecular weight of 3-(4-Methylphenyl)sulfanylprop-2-enoic acid is 194.04 g/mol.
Where can I buy 3-(4-Methylphenyl)sulfanylprop-2-enoic acid?
You can request a quote for 3-(4-Methylphenyl)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-(4-Methylphenyl)sulfanylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)sulfanylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.