3-Chloro-1lambda6-thietane-1,1-dione
TL;DR: 3-Chloro-1lambda6-thietane-1,1-dione (CAS 694-81-5) is a chemical compound with molecular formula C3H5ClO2S and molecular weight 139.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorothietane 1,1-dioxide
Also Known As: 3-Chlorothietane 1,1-dioxide, 3-CHLOROTHIETANE-1,1-DIOXIDE, 4,5-Dimethylpyrimidine, thietane, 1,1-dioxide, Thietane, 3-chloro-, 1,1-dioxide
| Molecular Formula | C3H5ClO2S |
|---|---|
| Molecular Weight | 139.97 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.96988 |
| Heavy Atoms | 7 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 694-81-5 |
|---|---|
| SMILES | C1C(CS1(=O)=O)Cl |
| InChIKey | MHGRPTSHTMXAKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1lambda6-thietane-1,1-dione (CAS 694-81-5), with molecular formula C3H5ClO2S and molecular weight 139.97 g/mol. IUPAC: 3-chlorothietane 1,1-dioxide.
Chemical Property Profile of 3-Chloro-1lambda6-thietane-1,1-dione
Property Insights of 3-Chloro-1lambda6-thietane-1,1-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1lambda6-thietane-1,1-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Chloro-1lambda6-thietane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1lambda6-thietane-1,1-dione has 0 hydrogen bond donor(s) and 2 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-Chloro-1lambda6-thietane-1,1-dione?
The CAS number of 3-Chloro-1lambda6-thietane-1,1-dione is 694-81-5.
What is the molecular formula of 3-Chloro-1lambda6-thietane-1,1-dione?
The molecular formula of 3-Chloro-1lambda6-thietane-1,1-dione is C3H5ClO2S.
What is the molecular weight of 3-Chloro-1lambda6-thietane-1,1-dione?
The molecular weight of 3-Chloro-1lambda6-thietane-1,1-dione is 139.97 g/mol.
Where can I buy 3-Chloro-1lambda6-thietane-1,1-dione?
You can request a quote for 3-Chloro-1lambda6-thietane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1lambda6-thietane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1lambda6-thietane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.