5-Methyl-1,2,3-benzothiadiazole
TL;DR: 5-Methyl-1,2,3-benzothiadiazole (CAS 60474-24-0) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2,3-benzothiadiazole
Also Known As: 5-methyl-1,2,3-benzothiadiazole, 5-Methylbenzo[d][1,2,3]thiadiazole
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 60474-24-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SN=N2 |
| InChIKey | XYLUQSLPJCAEQL-UHFFFAOYSA-N |
Product Overview
5-Methyl-1,2,3-benzothiadiazole (CAS 60474-24-0), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 5-methyl-1,2,3-benzothiadiazole.
Chemical Property Profile of 5-Methyl-1,2,3-benzothiadiazole
Property Insights of 5-Methyl-1,2,3-benzothiadiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,2,3-benzothiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 5-Methyl-1,2,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,2,3-benzothiadiazole 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 5-Methyl-1,2,3-benzothiadiazole?
The CAS number of 5-Methyl-1,2,3-benzothiadiazole is 60474-24-0.
What is the molecular formula of 5-Methyl-1,2,3-benzothiadiazole?
The molecular formula of 5-Methyl-1,2,3-benzothiadiazole is C7H6N2S.
What is the molecular weight of 5-Methyl-1,2,3-benzothiadiazole?
The molecular weight of 5-Methyl-1,2,3-benzothiadiazole is 150.03 g/mol.
Where can I buy 5-Methyl-1,2,3-benzothiadiazole?
You can request a quote for 5-Methyl-1,2,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,2,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,2,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.