S-(2-氯-2-氧代乙基)硫代乙酸酯
TL;DR: S-(2-氯-2-氧代乙基)硫代乙酸酯 (CAS 10553-78-3) is a chemical compound with molecular formula C4H5ClO2S and molecular weight 151.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-氯-2-氧代乙基)硫代乙酸酯
S-(2-chloro-2-oxoethyl) ethanethioate
Also Known As: S-(2-Chloro-2-oxoethyl) ethanethioate, acetylmercaptoacetyl chloride, Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester, 2-acetylmercaptoacetic acid chloride, acid chloride of acetylthioacetic acid
| Molecular Formula | C4H5ClO2S |
|---|---|
| Molecular Weight | 151.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.96988 |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 10553-78-3 |
|---|---|
| SMILES | CC(=O)SCC(=O)Cl |
| InChIKey | CDVXHLKKIJCRHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-氯-2-氧代乙基)硫代乙酸酯 (CAS 10553-78-3), with molecular formula C4H5ClO2S and molecular weight 151.97 g/mol. IUPAC: S-(2-chloro-2-oxoethyl) ethanethioate.
Chemical Property Profile of S-(2-氯-2-氧代乙基)硫代乙酸酯
Property Insights of S-(2-氯-2-氧代乙基)硫代乙酸酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-氯-2-氧代乙基)硫代乙酸酯. With a topological polar surface area (TPSA) of 59.4 Ų, S-(2-氯-2-氧代乙基)硫代乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-氯-2-氧代乙基)硫代乙酸酯 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 S-(2-氯-2-氧代乙基)硫代乙酸酯?
The CAS number of S-(2-氯-2-氧代乙基)硫代乙酸酯 is 10553-78-3.
What is the molecular formula of S-(2-氯-2-氧代乙基)硫代乙酸酯?
The molecular formula of S-(2-氯-2-氧代乙基)硫代乙酸酯 is C4H5ClO2S.
What is the molecular weight of S-(2-氯-2-氧代乙基)硫代乙酸酯?
The molecular weight of S-(2-氯-2-氧代乙基)硫代乙酸酯 is 151.97 g/mol.
Where can I buy S-(2-氯-2-氧代乙基)硫代乙酸酯?
You can request a quote for S-(2-氯-2-氧代乙基)硫代乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-氯-2-氧代乙基)硫代乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for S-(2-氯-2-氧代乙基)硫代乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.