![S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate structure](/static/products/6314/63148-80-1.webp)
S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate
TL;DR: S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate (CAS 63148-80-1) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(5-chloro-2-hydroxy-4-methylanilino)-2-oxoethyl] ethanethioate
Also Known As: Ethanethioic acid, S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ester, S-(2-((5-Chloro-2-hydroxy-4-methylphenyl)amino)-2-oxoethyl) ethanethioate, S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate, Ethanethioic acid, S-(2-((5-chloro-2-hydroxy-4-methylphenyl)amino)-2-oxoethyl) ester, S-[2-(5-chloro-2-hydroxy-4-methylanilino)-2-oxoethyl] ethanethioate
| Molecular Formula | C11H12ClNO3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.02264 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 63148-80-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)NC(=O)CSC(=O)C)O |
| InChIKey | MRMIFRUIXQBIGV-UHFFFAOYSA-N |
Product Overview
S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate (CAS 63148-80-1), with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol. IUPAC: S-[2-(5-chloro-2-hydroxy-4-methylanilino)-2-oxoethyl] ethanethioate.
Chemical Property Profile of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate
Property Insights of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate. Following Lipinski's Rule of Five, S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate has 2 hydrogen bond donor(s) and 4 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 S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate?
The CAS number of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate is 63148-80-1.
What is the molecular formula of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate?
The molecular formula of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate is C11H12ClNO3S.
What is the molecular weight of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate?
The molecular weight of S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate is 273.02 g/mol.
Where can I buy S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate?
You can request a quote for S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.