Methyl 2-(4-chlorobenzylthio)acetate
TL;DR: Methyl 2-(4-chlorobenzylthio)acetate (CAS 34722-42-4) 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.
methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate
Also Known As: Methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate, methyl p-chlorobenzylmercapto-acetate, methyl 2-(4-chlorobenzylmercapto)-acetate, methyl [(4-chlorobenzyl)sulfanyl]acetate, METHYL 2-(4-CHLOROBENZYLTHIO)ACETATE
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.7462 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 297.49524 |
Chemical Identifiers
| CAS Number | 34722-42-4 |
|---|---|
| SMILES | COC(=O)CSCC1=CC=C(C=C1)Cl |
Product Overview
Methyl 2-(4-chlorobenzylthio)acetate (CAS 34722-42-4), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate.
Chemical Property Profile of Methyl 2-(4-chlorobenzylthio)acetate
Property Insights of Methyl 2-(4-chlorobenzylthio)acetate
The XLogP value of 2.7462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-chlorobenzylthio)acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(4-chlorobenzylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-chlorobenzylthio)acetate has 0 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 Methyl 2-(4-chlorobenzylthio)acetate?
The CAS number of Methyl 2-(4-chlorobenzylthio)acetate is 34722-42-4.
What is the molecular formula of Methyl 2-(4-chlorobenzylthio)acetate?
The molecular formula of Methyl 2-(4-chlorobenzylthio)acetate is C10H11ClO2S.
What is the molecular weight of Methyl 2-(4-chlorobenzylthio)acetate?
The molecular weight of Methyl 2-(4-chlorobenzylthio)acetate is 230.02 g/mol.
Where can I buy Methyl 2-(4-chlorobenzylthio)acetate?
You can request a quote for Methyl 2-(4-chlorobenzylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-chlorobenzylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chlorobenzylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.