![3-[(2-Chloroethyl)amino]thiolane-1,1-dione structure](/static/products/844/844882-06-0.png)
3-[(2-Chloroethyl)amino]thiolane-1,1-dione
TL;DR: 3-[(2-Chloroethyl)amino]thiolane-1,1-dione (CAS 844882-06-0) is a chemical compound with molecular formula C6H12ClNO2S and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-1,1-dioxothiolan-3-amine
Also Known As: 3-[(2-chloroethyl)amino]thiolane-1,1-dione, N-(2-chloroethyl)-1,1-dioxothiolan-3-amine, A3567/0151361, 3-Thiophenamine, N-(2-chloroethyl)tetrahydro-, 1,1-dioxide, 3-((2-chloroethyl)amino)tetrahydrothiophene 1,1-dioxide
| Molecular Formula | C6H12ClNO2S |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.0019 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.02773 |
| Heavy Atoms | 11 |
| Complexity | 214.62218 |
Chemical Identifiers
| CAS Number | 844882-06-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NCCCl |
Product Overview
3-[(2-Chloroethyl)amino]thiolane-1,1-dione (CAS 844882-06-0), with molecular formula C6H12ClNO2S and molecular weight 197.03 g/mol. IUPAC: N-(2-chloroethyl)-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione
Property Insights of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione
The XLogP value of 0.0019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Chloroethyl)amino]thiolane-1,1-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 3-[(2-Chloroethyl)amino]thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Chloroethyl)amino]thiolane-1,1-dione has 1 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 3-[(2-Chloroethyl)amino]thiolane-1,1-dione?
The CAS number of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione is 844882-06-0.
What is the molecular formula of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione?
The molecular formula of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione is C6H12ClNO2S.
What is the molecular weight of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione?
The molecular weight of 3-[(2-Chloroethyl)amino]thiolane-1,1-dione is 197.03 g/mol.
Where can I buy 3-[(2-Chloroethyl)amino]thiolane-1,1-dione?
You can request a quote for 3-[(2-Chloroethyl)amino]thiolane-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-[(2-Chloroethyl)amino]thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloroethyl)amino]thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.