4-Nitro-2,1,3-benzothiadiazol-5-amine
TL;DR: 4-Nitro-2,1,3-benzothiadiazol-5-amine (CAS 30536-22-2) is a chemical compound with molecular formula C6H4N4O2S and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,1,3-benzothiadiazol-5-amine
Also Known As: 4-Nitrobenzo[c][1,2,5]thiadiazol-5-amine, 4-nitro-2,1,3-benzothiadiazol-5-amine, 3211AB, 5-amino-4-nitro-2,1,3-benzothiadiazole, BAS 00319093
| Molecular Formula | C6H4N4O2S |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 1.1817 |
| Topological Polar Surface Area | 94.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0055 |
| Heavy Atoms | 13 |
| Complexity | 480.43903 |
Chemical Identifiers
| CAS Number | 30536-22-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1N)[N+](=O)[O-] |
Product Overview
4-Nitro-2,1,3-benzothiadiazol-5-amine (CAS 30536-22-2), with molecular formula C6H4N4O2S and molecular weight 196.01 g/mol. IUPAC: 4-nitro-2,1,3-benzothiadiazol-5-amine.
Chemical Property Profile of 4-Nitro-2,1,3-benzothiadiazol-5-amine
Property Insights of 4-Nitro-2,1,3-benzothiadiazol-5-amine
The XLogP value of 1.1817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2,1,3-benzothiadiazol-5-amine. The TPSA of 94.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2,1,3-benzothiadiazol-5-amine. Following Lipinski's Rule of Five, 4-Nitro-2,1,3-benzothiadiazol-5-amine has 1 hydrogen bond donor(s) and 6 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-Nitro-2,1,3-benzothiadiazol-5-amine?
The CAS number of 4-Nitro-2,1,3-benzothiadiazol-5-amine is 30536-22-2.
What is the molecular formula of 4-Nitro-2,1,3-benzothiadiazol-5-amine?
The molecular formula of 4-Nitro-2,1,3-benzothiadiazol-5-amine is C6H4N4O2S.
What is the molecular weight of 4-Nitro-2,1,3-benzothiadiazol-5-amine?
The molecular weight of 4-Nitro-2,1,3-benzothiadiazol-5-amine is 196.01 g/mol.
Where can I buy 4-Nitro-2,1,3-benzothiadiazol-5-amine?
You can request a quote for 4-Nitro-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-Nitro-2,1,3-benzothiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2,1,3-benzothiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.