![3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine structure](/static/products/5771/57712-19-3.webp)
3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine (CAS 57712-19-3) is a chemical compound with molecular formula C10H11BrN4S and molecular weight 297.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
Also Known As: 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine, AA-516/12432419, 3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine, 3-((4-bromobenzyl)thio)-5-methyl-4H-1,2,4-triazol-4-amine, 3-(4-bromo-benzylsulfanyl)-5-methyl-[1,2,4]triazol-4-ylamine
| Molecular Formula | C10H11BrN4S |
|---|---|
| Molecular Weight | 297.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.98877 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 57712-19-3 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC2=CC=C(C=C2)Br |
| InChIKey | YZKASQLREMQYOM-UHFFFAOYSA-N |
Product Overview
3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine (CAS 57712-19-3), with molecular formula C10H11BrN4S and molecular weight 297.99 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-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 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine is 57712-19-3.
What is the molecular formula of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine is C10H11BrN4S.
What is the molecular weight of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine is 297.99 g/mol.
Where can I buy 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-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-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.