3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
TL;DR: 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide (CAS 100937-39-1) is a chemical compound with molecular formula C9H8ClN3O2S and molecular weight 257.00256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
Also Known As: 3-chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide, 1,2,4,6-thiatriazine, 3-chloro-2-methyl-5-phenyl-, 1,1-dioxide, 3-Chloro-2-methyl-5-phenyl-1lambda~6~,2,4,6-thiatriazine-1,1(2H)-dione
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8ClN3O2S |
| Molecular Weight | 257.00256 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.00256 Da |
| Heavy Atoms | 16 |
| Complexity | 432.0 |
| SMILES | CN1C(=NC(=NS1(=O)=O)C2=CC=CC=C2)Cl |
| InChIKey | SRBLFMILQYNCRR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
Property Insights of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 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
What is the CAS number of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide?
The CAS number of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide is 100937-39-1.
What is the molecular formula of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide?
The molecular formula of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide is C9H8ClN3O2S.
What is the molecular weight of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide?
The molecular weight of 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide is 257.00256 g/mol.
Where can I buy 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide?
You can request a quote for 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-methyl-5-phenyl-1,2,4,6-thiatriazine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.