2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide
TL;DR: 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide (CAS 85770-03-2) is a chemical compound with molecular formula C4H6ClN3O2S and molecular weight 194.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,5-dimethyl-1,2,4,6-thiatriazine 1,1-dioxide
Also Known As: 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide, 3-chloro-2,5-dimethyl-1,2,4,6-thiatriazine 1,1-dioxide, 2,5-dimethyl-3-chloro-2H-1,2,4,6-thiatriazine 1,1-dioxide, 3-chloro-2,5-dimethyl-2H-1,2,4,6-thiatriazine 1,1-dioxide, 3-chloro-2,5-dimethyl-2H-1,2,4,6-thiatriazine-1,1-dioxide
| Molecular Formula | C4H6ClN3O2S |
|---|---|
| Molecular Weight | 194.99 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.98692 |
| Heavy Atoms | 11 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 85770-03-2 |
|---|---|
| SMILES | CC1=NS(=O)(=O)N(C(=N1)Cl)C |
| InChIKey | ARRCBNYDVGSREQ-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-2,5-dimethyl-, 1,1-dioxide (CAS 85770-03-2), with molecular formula C4H6ClN3O2S and molecular weight 194.99 g/mol. IUPAC: 3-chloro-2,5-dimethyl-1,2,4,6-thiatriazine 1,1-dioxide.
Chemical Property Profile of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide
Property Insights of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide has 0 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 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide?
The CAS number of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide is 85770-03-2.
What is the molecular formula of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide?
The molecular formula of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide is C4H6ClN3O2S.
What is the molecular weight of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide?
The molecular weight of 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide is 194.99 g/mol.
Where can I buy 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide?
You can request a quote for 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 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-2,5-dimethyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4,6-Thiatriazine, 3-chloro-2,5-dimethyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.