(2,5-Dimethylphenyl)(sulfanyl)acetic acid
TL;DR: (2,5-Dimethylphenyl)(sulfanyl)acetic acid (CAS 7254-18-4) 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-(2,5-dimethylphenyl)-2-sulfanylacetic acid
Also Known As: (2,5-dimethylphenyl)(sulfanyl)acetic acid, KST-1A7871, 2-(2,5-dimethylphenyl)-2-sulfanylacetic acid, Benzoyl isocyanate,2-chloro-4,5-difluoro, Benzeneacetic acid, a-mercapto-2,5-dimethyl-
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 7254-18-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(C(=O)O)S |
| InChIKey | XYOSGYCYXVLMIS-UHFFFAOYSA-N |
Product Overview
(2,5-Dimethylphenyl)(sulfanyl)acetic acid (CAS 7254-18-4), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-(2,5-dimethylphenyl)-2-sulfanylacetic acid.
Chemical Property Profile of (2,5-Dimethylphenyl)(sulfanyl)acetic acid
Property Insights of (2,5-Dimethylphenyl)(sulfanyl)acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,5-Dimethylphenyl)(sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 38.3 Ų, (2,5-Dimethylphenyl)(sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,5-Dimethylphenyl)(sulfanyl)acetic acid has 2 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 (2,5-Dimethylphenyl)(sulfanyl)acetic acid?
The CAS number of (2,5-Dimethylphenyl)(sulfanyl)acetic acid is 7254-18-4.
What is the molecular formula of (2,5-Dimethylphenyl)(sulfanyl)acetic acid?
The molecular formula of (2,5-Dimethylphenyl)(sulfanyl)acetic acid is C10H12O2S.
What is the molecular weight of (2,5-Dimethylphenyl)(sulfanyl)acetic acid?
The molecular weight of (2,5-Dimethylphenyl)(sulfanyl)acetic acid is 196.06 g/mol.
Where can I buy (2,5-Dimethylphenyl)(sulfanyl)acetic acid?
You can request a quote for (2,5-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 (2,5-Dimethylphenyl)(sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethylphenyl)(sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.