4-Methyl-2,1,3-benzothiadiazol-5-amine
TL;DR: 4-Methyl-2,1,3-benzothiadiazol-5-amine (CAS 2255-97-2) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2,1,3-benzothiadiazol-5-amine
Also Known As: 4-methyl-2,1,3-benzothiadiazol-5-amine, 2,1,3-Benzothiadiazol-5-amine, 4-methyl-, 4-Methyl-5-amino-benz-2,1,3-thiadiazole, 2,1,3-benzothiadiazol-5-amine,4-methyl-, 4-Methyl-benzo[1,2,5]thiadiazol-5-ylamine
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.58192 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 393.48505 |
Chemical Identifiers
| CAS Number | 2255-97-2 |
|---|---|
| SMILES | CC1=C(C=CC2=NSN=C12)N |
Product Overview
4-Methyl-2,1,3-benzothiadiazol-5-amine (CAS 2255-97-2), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: 4-methyl-2,1,3-benzothiadiazol-5-amine.
Chemical Property Profile of 4-Methyl-2,1,3-benzothiadiazol-5-amine
Property Insights of 4-Methyl-2,1,3-benzothiadiazol-5-amine
The XLogP value of 1.58192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2,1,3-benzothiadiazol-5-amine. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methyl-2,1,3-benzothiadiazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2,1,3-benzothiadiazol-5-amine has 1 hydrogen bond donor(s) and 4 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 4-Methyl-2,1,3-benzothiadiazol-5-amine?
The CAS number of 4-Methyl-2,1,3-benzothiadiazol-5-amine is 2255-97-2.
What is the molecular formula of 4-Methyl-2,1,3-benzothiadiazol-5-amine?
The molecular formula of 4-Methyl-2,1,3-benzothiadiazol-5-amine is C7H7N3S.
What is the molecular weight of 4-Methyl-2,1,3-benzothiadiazol-5-amine?
The molecular weight of 4-Methyl-2,1,3-benzothiadiazol-5-amine is 165.04 g/mol.
Where can I buy 4-Methyl-2,1,3-benzothiadiazol-5-amine?
You can request a quote for 4-Methyl-2,1,3-benzothiadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2,1,3-benzothiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2,1,3-benzothiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.