2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide
TL;DR: 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide (CAS 85787-74-2) is a chemical compound with molecular formula C6H9Cl2N3O2S and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(2-chloroethyl)-5-ethyl-1,2,4,6-thiatriazine 1,1-dioxide
Also Known As: 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide, 3-chloro-2-(2-chloroethyl)-5-ethyl-1,2,4,6-thiatriazine 1,1-dioxide, 3-Chloro-2-(2-chloroethyl)-5-ethyl-1lambda~6~,2,4,6-thiatriazine-1,1(2H)-dione
| Molecular Formula | C6H9Cl2N3O2S |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.97925 |
| Heavy Atoms | 14 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 85787-74-2 |
|---|---|
| SMILES | CCC1=NS(=O)(=O)N(C(=N1)Cl)CCCl |
| InChIKey | ZEGRKICJGDVQET-UHFFFAOYSA-N |
Product Overview
2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide (CAS 85787-74-2), with molecular formula C6H9Cl2N3O2S and molecular weight 256.98 g/mol. IUPAC: 3-chloro-2-(2-chloroethyl)-5-ethyl-1,2,4,6-thiatriazine 1,1-dioxide.
Chemical Property Profile of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide
Property Insights of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 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-(2-chloroethyl)-5-ethyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 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-(2-chloroethyl)-5-ethyl-, 1,1-dioxide?
The CAS number of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide is 85787-74-2.
What is the molecular formula of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide?
The molecular formula of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide is C6H9Cl2N3O2S.
What is the molecular weight of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide?
The molecular weight of 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide is 256.98 g/mol.
Where can I buy 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide?
You can request a quote for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 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-(2-chloroethyl)-5-ethyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4,6-Thiatriazine, 3-chloro-2-(2-chloroethyl)-5-ethyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.