3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine
TL;DR: 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine (CAS 440113-24-6) 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.
3-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-amine
Also Known As: 3-(4-nitrobenzyl)-1,2,4-thiadiazol-5-amine, 3-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-amine, 3-[(4-nitrophenyl)methyl]-1,2,4-thiadiazole-5-ylamine
| 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 | 508.48245 |
Chemical Identifiers
| CAS Number | 440113-24-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NSC(=N2)N)[N+](=O)[O-] |
Product Overview
3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine (CAS 440113-24-6), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-amine.
Chemical Property Profile of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine
Property Insights of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine
The XLogP value of 1.6193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine. The TPSA of 94.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine. Following Lipinski's Rule of Five, 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-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 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine?
The CAS number of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine is 440113-24-6.
What is the molecular formula of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine?
The molecular formula of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine is C9H8N4O2S.
What is the molecular weight of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine?
The molecular weight of 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine is 236.04 g/mol.
Where can I buy 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine?
You can request a quote for 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrobenzyl)-1,2,4-thiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.