Epithiochlorohydrin
TL;DR: Epithiochlorohydrin (CAS 3221-15-6) is a chemical compound with molecular formula C3H5ClS and molecular weight 107.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)thiirane
Also Known As: 2-(Chloromethyl)thiirane, EPITHIOCHLOROHYDRIN, Thioepichlorohydrin, Thioepichlorhydrin, (Chloromethyl)thiirane
| Molecular Formula | C3H5ClS |
|---|---|
| Molecular Weight | 107.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.98005 |
| Heavy Atoms | 5 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 3221-15-6 |
|---|---|
| SMILES | C1C(S1)CCl |
| InChIKey | XRWMHJJHPQTTLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Epithiochlorohydrin (CAS 3221-15-6), with molecular formula C3H5ClS and molecular weight 107.98 g/mol. IUPAC: 2-(chloromethyl)thiirane.
Chemical Property Profile of Epithiochlorohydrin
Property Insights of Epithiochlorohydrin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epithiochlorohydrin. With a topological polar surface area (TPSA) of 25.3 Ų, Epithiochlorohydrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epithiochlorohydrin has 0 hydrogen bond donor(s) and 1 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 Epithiochlorohydrin?
The CAS number of Epithiochlorohydrin is 3221-15-6.
What is the molecular formula of Epithiochlorohydrin?
The molecular formula of Epithiochlorohydrin is C3H5ClS.
What is the molecular weight of Epithiochlorohydrin?
The molecular weight of Epithiochlorohydrin is 107.98 g/mol.
Where can I buy Epithiochlorohydrin?
You can request a quote for Epithiochlorohydrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epithiochlorohydrin?
Yes, KEHONG BIO provides custom synthesis services for Epithiochlorohydrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.