5-Nitro-2,1,3-benzothiadiazole
TL;DR: 5-Nitro-2,1,3-benzothiadiazole (CAS 16252-88-3) is a chemical compound with molecular formula C6H3N3O2S and molecular weight 180.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2,1,3-benzothiadiazole
Also Known As: 5-nitro-2,1,3-benzothiadiazole, 5-nitrobenzo[c][1,2,5]thiadiazole, 5-nitrobenzo-2,1,3-thiadiazole, Maybridge1_005863, 2,1,3-Benzothiadiazole, 5-nitro-
| Molecular Formula | C6H3N3O2S |
|---|---|
| Molecular Weight | 180.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.9946 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 16252-88-3 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1[N+](=O)[O-] |
| InChIKey | BXZPSERJJMAPSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2,1,3-benzothiadiazole (CAS 16252-88-3), with molecular formula C6H3N3O2S and molecular weight 180.99 g/mol. IUPAC: 5-nitro-2,1,3-benzothiadiazole.
Chemical Property Profile of 5-Nitro-2,1,3-benzothiadiazole
Property Insights of 5-Nitro-2,1,3-benzothiadiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2,1,3-benzothiadiazole. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 5-Nitro-2,1,3-benzothiadiazole 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 5-Nitro-2,1,3-benzothiadiazole?
The CAS number of 5-Nitro-2,1,3-benzothiadiazole is 16252-88-3.
What is the molecular formula of 5-Nitro-2,1,3-benzothiadiazole?
The molecular formula of 5-Nitro-2,1,3-benzothiadiazole is C6H3N3O2S.
What is the molecular weight of 5-Nitro-2,1,3-benzothiadiazole?
The molecular weight of 5-Nitro-2,1,3-benzothiadiazole is 180.99 g/mol.
Where can I buy 5-Nitro-2,1,3-benzothiadiazole?
You can request a quote for 5-Nitro-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.