2-(2-氯乙硫基)乙酸甲酯
TL;DR: 2-(2-氯乙硫基)乙酸甲酯 (CAS 73623-44-6) is a chemical compound with molecular formula C5H9ClO2S and molecular weight 168.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-氯乙硫基)乙酸甲酯
methyl 2-(2-chloroethylsulfanyl)acetate
Also Known As: Methyl 2-chloroethylthioacetate, Acetic acid, methyl ester, methyl 2-(2-chloroethylsulfanyl)acetate, 2-(2-Chloroethylthio)acetic acid methyl ester, methyl[(2-chloroethyl)thio]acetate
| Molecular Formula | C5H9ClO2S |
|---|---|
| Molecular Weight | 168.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.00117 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 73623-44-6 |
|---|---|
| SMILES | COC(=O)CSCCCl |
| InChIKey | KAOZQKMKOZFDSQ-UHFFFAOYSA-N |
Product Overview
2-(2-氯乙硫基)乙酸甲酯 (CAS 73623-44-6), with molecular formula C5H9ClO2S and molecular weight 168.00 g/mol. IUPAC: methyl 2-(2-chloroethylsulfanyl)acetate.
Chemical Property Profile of 2-(2-氯乙硫基)乙酸甲酯
Property Insights of 2-(2-氯乙硫基)乙酸甲酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-氯乙硫基)乙酸甲酯. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(2-氯乙硫基)乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-氯乙硫基)乙酸甲酯 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 2-(2-氯乙硫基)乙酸甲酯?
The CAS number of 2-(2-氯乙硫基)乙酸甲酯 is 73623-44-6.
What is the molecular formula of 2-(2-氯乙硫基)乙酸甲酯?
The molecular formula of 2-(2-氯乙硫基)乙酸甲酯 is C5H9ClO2S.
What is the molecular weight of 2-(2-氯乙硫基)乙酸甲酯?
The molecular weight of 2-(2-氯乙硫基)乙酸甲酯 is 168.00 g/mol.
Where can I buy 2-(2-氯乙硫基)乙酸甲酯?
You can request a quote for 2-(2-氯乙硫基)乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-氯乙硫基)乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-氯乙硫基)乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.