2-Chloroethyl Methanethiosulfonate
TL;DR: 2-Chloroethyl Methanethiosulfonate (CAS 13700-02-2) is a chemical compound with molecular formula C3H7ClO2S2 and molecular weight 173.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methylsulfonylsulfanylethane
Also Known As: 2-Chloroethyl Methanethiosulfonate, 2-Chloro-ethanethiol Methanesulfonate, 1-chloro-2-methylsulfonylsulfanylethane, 1-chloro-2-methylsulfonylsulfanyl-ethane, Methanesulfonothioic acid, S-(2-chloroethyl) ester
| Molecular Formula | C3H7ClO2S2 |
|---|---|
| Molecular Weight | 173.96 g/mol |
| LogP | 0.918 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.9576 |
| Heavy Atoms | 8 |
| Complexity | 139.36241 |
Chemical Identifiers
| CAS Number | 13700-02-2 |
|---|---|
| SMILES | CS(=O)(=O)SCCCl |
Product Overview
2-Chloroethyl Methanethiosulfonate (CAS 13700-02-2), with molecular formula C3H7ClO2S2 and molecular weight 173.96 g/mol. IUPAC: 1-chloro-2-methylsulfonylsulfanylethane.
Chemical Property Profile of 2-Chloroethyl Methanethiosulfonate
Property Insights of 2-Chloroethyl Methanethiosulfonate
The XLogP value of 0.918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl Methanethiosulfonate. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Chloroethyl Methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl Methanethiosulfonate 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-Chloroethyl Methanethiosulfonate?
The CAS number of 2-Chloroethyl Methanethiosulfonate is 13700-02-2.
What is the molecular formula of 2-Chloroethyl Methanethiosulfonate?
The molecular formula of 2-Chloroethyl Methanethiosulfonate is C3H7ClO2S2.
What is the molecular weight of 2-Chloroethyl Methanethiosulfonate?
The molecular weight of 2-Chloroethyl Methanethiosulfonate is 173.96 g/mol.
Where can I buy 2-Chloroethyl Methanethiosulfonate?
You can request a quote for 2-Chloroethyl Methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl Methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.