2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide
TL;DR: 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide (CAS 78384-22-2) is a chemical compound with molecular formula C4H6ClN3O2S2 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide
Also Known As: 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide, 3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide, 3-Chloro-2-methyl-5-(methylsulfanyl)-1lambda~6~,2,4,6-thiatriazine-1,1(2H)-dione
| Molecular Formula | C4H6ClN3O2S2 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.959 |
| Heavy Atoms | 12 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 78384-22-2 |
|---|---|
| SMILES | CN1C(=NC(=NS1(=O)=O)SC)Cl |
| InChIKey | SIEQOMSTNRQBGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide (CAS 78384-22-2), with molecular formula C4H6ClN3O2S2 and molecular weight 226.96 g/mol. IUPAC: 3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide.
Chemical Property Profile of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide
Property Insights of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide 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 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide?
The CAS number of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide is 78384-22-2.
What is the molecular formula of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide?
The molecular formula of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide is C4H6ClN3O2S2.
What is the molecular weight of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide?
The molecular weight of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide is 226.96 g/mol.
Where can I buy 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide?
You can request a quote for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.