![2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid structure](/static/products/856/85654-11-1.png)
2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid
TL;DR: 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid (CAS 85654-11-1) 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.
2-(3,4-dimethylphenyl)sulfanylacetic acid
Also Known As: 2-[(3,4-dimethylphenyl)sulfanyl]acetic acid, 2-(3,4-dimethylphenyl)sulfanylacetic Acid, [(3,4-dimethylphenyl)thio]acetic acid, 2-[(3,4-Dimethylphenyl)thio]acetic Acid, (3,4-dimethylphenylsulfanyl)-acetic acid
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.48014 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 320.70084 |
Chemical Identifiers
| CAS Number | 85654-11-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)SCC(=O)O)C |
Product Overview
2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid (CAS 85654-11-1), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfanylacetic acid.
Chemical Property Profile of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid
Property Insights of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid
The XLogP value of 2.48014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid has 1 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 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid?
The CAS number of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid is 85654-11-1.
What is the molecular formula of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid?
The molecular formula of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid is C10H12O2S.
What is the molecular weight of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid?
The molecular weight of 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid is 196.06 g/mol.
Where can I buy 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid?
You can request a quote for 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Dimethylphenyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.