![2-[(2-Chloroethyl)sulfanyl]acetic acid structure](/static/products/4332/4332-50-7.webp)
2-[(2-Chloroethyl)sulfanyl]acetic acid
TL;DR: 2-[(2-Chloroethyl)sulfanyl]acetic acid (CAS 4332-50-7) is a chemical compound with molecular formula C4H7ClO2S and molecular weight 153.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)acetic acid
Also Known As: DABS, [(2-chloroethyl)sulfanyl]acetic acid, Acetic acid,2-[(2-chloroethyl)thio]-, 2-(2-chloroethylsulfanyl)acetic acid, [(2-chloroethyl)thio]acetic acid
| Molecular Formula | C4H7ClO2S |
|---|---|
| Molecular Weight | 153.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.98553 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 4332-50-7 |
|---|---|
| SMILES | C(CCl)SCC(=O)O |
| InChIKey | XHGFAYNDKHWRSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2-Chloroethyl)sulfanyl]acetic acid (CAS 4332-50-7), with molecular formula C4H7ClO2S and molecular weight 153.99 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)acetic acid.
Chemical Property Profile of 2-[(2-Chloroethyl)sulfanyl]acetic acid
Property Insights of 2-[(2-Chloroethyl)sulfanyl]acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloroethyl)sulfanyl]acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloroethyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2-Chloroethyl)sulfanyl]acetic acid 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 2-[(2-Chloroethyl)sulfanyl]acetic acid?
The CAS number of 2-[(2-Chloroethyl)sulfanyl]acetic acid is 4332-50-7.
What is the molecular formula of 2-[(2-Chloroethyl)sulfanyl]acetic acid?
The molecular formula of 2-[(2-Chloroethyl)sulfanyl]acetic acid is C4H7ClO2S.
What is the molecular weight of 2-[(2-Chloroethyl)sulfanyl]acetic acid?
The molecular weight of 2-[(2-Chloroethyl)sulfanyl]acetic acid is 153.99 g/mol.
Where can I buy 2-[(2-Chloroethyl)sulfanyl]acetic acid?
You can request a quote for 2-[(2-Chloroethyl)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-[(2-Chloroethyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloroethyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.