3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
TL;DR: 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione (CAS 32540-15-1) is a chemical compound with molecular formula C5H4Cl3NO2S2 and molecular weight 278.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
Also Known As: 3-(trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione, 3-[(Trichloromethyl)sulfanyl]-1,3-thiazinane-2,4-dione
| Molecular Formula | C5H4Cl3NO2S2 |
|---|---|
| Molecular Weight | 278.87 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.8749 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 32540-15-1 |
|---|---|
| SMILES | C1CSC(=O)N(C1=O)SC(Cl)(Cl)Cl |
| InChIKey | WNDNQTSUKLPFJW-UHFFFAOYSA-N |
Product Overview
3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione (CAS 32540-15-1), with molecular formula C5H4Cl3NO2S2 and molecular weight 278.87 g/mol. IUPAC: 3-(trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione.
Chemical Property Profile of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
Property Insights of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione. Following Lipinski's Rule of Five, 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione has 0 hydrogen bond donor(s) and 4 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-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione?
The CAS number of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione is 32540-15-1.
What is the molecular formula of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione?
The molecular formula of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione is C5H4Cl3NO2S2.
What is the molecular weight of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione?
The molecular weight of 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione is 278.87 g/mol.
Where can I buy 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione?
You can request a quote for 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.