Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-
TL;DR: Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- (CAS 93-77-6) is a chemical compound with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2,5-dimethylphenyl)sulfanylacetic acid
Also Known As: [(4-Chloro-2,5-dimethylphenyl)thio]acetic acid|2-((4-Chloro-2,5-dimethylphenyl)thio)acetic acid|KS-00003TNJ|[(4-chloro-2,5-dimethylphenyl)sulfanyl]acetic acid|KST-1A9274|5985AC|2-(4-chloro-2,5-dimethylphenyl)sulfanylacetic acid|[(4-chloro-2,5-dimethylphenyl)thio]aceticacid|((4-Chloro-2,5-dimethylphenyl)thio)acetic acid|Acetic acid, ((4-chloro-2,5-dimethylphenyl)thio)-|Acetic acid, [(4-chloro-2,5-dimethylphenyl)thio]-|(4-chloro-2,5-dimethylphenylthio)aceti acid|2-[(4-chloro-2,5-dimethylphenyl)sulfanyl]acetic acid|Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-|[(4-chlor-2,5-dimethylphenyl)thio]eddikesyre|Acetic acid, 2-[(4-chloro-2,5-dimethylphenyl)thio]-|2-((4-Chloro-2,5-dimethylphenyl)thio)aceticacid|2-(4-CHLORO-2,5-DIMETHYLPHENYLTHIO)ACETIC ACID|SR-01000408153-1|2-(4-chloro-2,5-dimethyl-phenyl)sulfanylacetic acid|2-[(4-Chloro-2,5-Dimethylphenyl)Thio]-Acetic Acid|ACETIC ACID,2-[(4-CHLORO-2,5-DIMETHYLPHENYL)THIO]-
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 93-77-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C)SCC(=O)O |
| InChIKey | OEEPIGFTISQIKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- (CAS 93-77-6), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetic acid.
Chemical Property Profile of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-
Property Insights of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-
The XLogP value of 3.4 indicates that Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-. Following Lipinski's Rule of Five, Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- 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 Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-?
The CAS number of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- is 93-77-6.
What is the molecular formula of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-?
The molecular formula of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- is C10H11ClO2S.
What is the molecular weight of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-?
The molecular weight of Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- is 230.02 g/mol.
Where can I buy Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-?
You can request a quote for Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.