![5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine structure](/static/products/4497/449746-24-1.webp)
5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine
TL;DR: 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine (CAS 449746-24-1) is a chemical compound with molecular formula C13H18N4S and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
Also Known As: 3-{[(3-methylphenyl)methyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-amine, AP-906/41471228, 5-[(3-methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine, 3-[(3-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine, 3-[(3-methylbenzyl)sulfanyl]-5-propyl-4H-1,2,4-triazol-4-ylamine
| Molecular Formula | C13H18N4S |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.1252 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 449746-24-1 |
|---|---|
| SMILES | CCCC1=NN=C(N1N)SCC2=CC=CC(=C2)C |
| InChIKey | DQKCGPWSZDPSQM-UHFFFAOYSA-N |
Product Overview
5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine (CAS 449746-24-1), with molecular formula C13H18N4S and molecular weight 262.13 g/mol. IUPAC: 3-[(3-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine
Property Insights of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine
The XLogP value of 3.1 indicates that 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-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-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine?
The CAS number of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine is 449746-24-1.
What is the molecular formula of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine?
The molecular formula of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine is C13H18N4S.
What is the molecular weight of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine?
The molecular weight of 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine is 262.13 g/mol.
Where can I buy 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine?
You can request a quote for 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Methylphenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.