5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine
TL;DR: 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine (CAS 58610-23-4) is a chemical compound with molecular formula C9H10N4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-amine
Also Known As: 5-methylthio-1-phenyl-1,2,4-triazole-3-ylamine, 5-(methylsulfanyl)-1-phenyl-1H-1,2,4-triazol-3-amine, 5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-amine, 5-methylsulfanyl-1-phenyl-1H-[1,2,4]triazol-3-ylamine
| Molecular Formula | C9H10N4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06262 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 58610-23-4 |
|---|---|
| SMILES | CSC1=NC(=NN1C2=CC=CC=C2)N |
| InChIKey | VKJNMOVBGNNKIM-UHFFFAOYSA-N |
Product Overview
5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine (CAS 58610-23-4), with molecular formula C9H10N4S and molecular weight 206.06 g/mol. IUPAC: 5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine
Property Insights of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine. Following Lipinski's Rule of Five, 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine 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 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine?
The CAS number of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine is 58610-23-4.
What is the molecular formula of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine?
The molecular formula of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine is C9H10N4S.
What is the molecular weight of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine?
The molecular weight of 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine is 206.06 g/mol.
Where can I buy 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine?
You can request a quote for 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylthio-1-phenyl-1,2,4-triazole-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.