2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-
TL;DR: 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- (CAS 3529-28-0) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,1,3-benzothiadiazole-4,7-dione
Also Known As: 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-, 5-Methyl-2,1,3-benzothia(S IV)diazole-4,7-dione, 5-methyl-2,1,3-benzothiadiazole-4,7-dione, 5-methyl-4,7-dioxobenzo-2,1,3-thiadiazole, 5-methylbenzo[c][1,2,5]thiadiazole-4,7-dione
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 0.8634 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 405.2938 |
Chemical Identifiers
| CAS Number | 3529-28-0 |
|---|---|
| SMILES | CC1=CC(=O)C2=NSN=C2C1=O |
Product Overview
2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- (CAS 3529-28-0), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 5-methyl-2,1,3-benzothiadiazole-4,7-dione.
Chemical Property Profile of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-
Property Insights of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-
The XLogP value of 0.8634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-. With a topological polar surface area (TPSA) of 59.92 Ų, 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- has 0 hydrogen bond donor(s) and 5 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 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-?
The CAS number of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- is 3529-28-0.
What is the molecular formula of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-?
The molecular formula of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- is C7H4N2O2S.
What is the molecular weight of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-?
The molecular weight of 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- is 180.00 g/mol.
Where can I buy 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-?
You can request a quote for 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothia(S IV)diazole-4,7-dione, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.