3-Chlorothietane
TL;DR: 3-Chlorothietane (CAS 6013-95-2) 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.
3-chlorothietane
Also Known As: 3-Chlorothietane, Thietane, 3-chloro-, 3-chloro-thietane, NCIOpen2_001876, Propane, 2-chloro-1,3-epithio-
| 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 | 0 |
| Exact Mass | 107.98005 |
| Heavy Atoms | 5 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 6013-95-2 |
|---|---|
| SMILES | C1C(CS1)Cl |
| InChIKey | XCXWYBUEHDEIQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorothietane (CAS 6013-95-2), with molecular formula C3H5ClS and molecular weight 107.98 g/mol. IUPAC: 3-chlorothietane.
Chemical Property Profile of 3-Chlorothietane
Property Insights of 3-Chlorothietane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorothietane. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Chlorothietane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorothietane 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 3-Chlorothietane?
The CAS number of 3-Chlorothietane is 6013-95-2.
What is the molecular formula of 3-Chlorothietane?
The molecular formula of 3-Chlorothietane is C3H5ClS.
What is the molecular weight of 3-Chlorothietane?
The molecular weight of 3-Chlorothietane is 107.98 g/mol.
Where can I buy 3-Chlorothietane?
You can request a quote for 3-Chlorothietane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorothietane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorothietane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.