3-(3-Methylphenyl)-2-sulfanylpropanoic acid
TL;DR: 3-(3-Methylphenyl)-2-sulfanylpropanoic acid (CAS 638142-95-7) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-2-sulfanylpropanoic acid
Also Known As: 2-Mercapto-3-(m-tolyl)propanoic acid, 2-Mercapto-3-m-tolyl-propionic acid, 3-(3-methylphenyl)-2-sulfanylpropanoic acid, 3-(3-methylphenyl)-2-sulfanyl-propanoic Acid
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 1.92052 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 309.54797 |
Chemical Identifiers
| CAS Number | 638142-95-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC(C(=O)O)S |
Product Overview
3-(3-Methylphenyl)-2-sulfanylpropanoic acid (CAS 638142-95-7), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 3-(3-methylphenyl)-2-sulfanylpropanoic acid.
Chemical Property Profile of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid
Property Insights of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid
The XLogP value of 1.92052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methylphenyl)-2-sulfanylpropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Methylphenyl)-2-sulfanylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methylphenyl)-2-sulfanylpropanoic 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-Methylphenyl)-2-sulfanylpropanoic acid?
The CAS number of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid is 638142-95-7.
What is the molecular formula of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid?
The molecular formula of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid is C10H12O2S.
What is the molecular weight of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid?
The molecular weight of 3-(3-Methylphenyl)-2-sulfanylpropanoic acid is 196.06 g/mol.
Where can I buy 3-(3-Methylphenyl)-2-sulfanylpropanoic acid?
You can request a quote for 3-(3-Methylphenyl)-2-sulfanylpropanoic 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-Methylphenyl)-2-sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylphenyl)-2-sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.