2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole
TL;DR: 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole (CAS 299935-48-1) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
Also Known As: 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole, 5-(2-nitrobenzyl)-1,3,4-thiadiazol-2-amine, 5-[(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.6193 |
| Topological Polar Surface Area | 94.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 525.7325 |
Chemical Identifiers
| CAS Number | 299935-48-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=NN=C(S2)N)[N+](=O)[O-] |
Product Overview
2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole (CAS 299935-48-1), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 5-[(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole
Property Insights of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole
The XLogP value of 1.6193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole. The TPSA of 94.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole 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 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole?
The CAS number of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole is 299935-48-1.
What is the molecular formula of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole?
The molecular formula of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole is C9H8N4O2S.
What is the molecular weight of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole?
The molecular weight of 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole is 236.04 g/mol.
Where can I buy 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole?
You can request a quote for 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(2-nitrobenzyl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.