![5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine structure](/static/products/6927/692751-43-2.webp)
5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine
TL;DR: 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine (CAS 692751-43-2) is a chemical compound with molecular formula C14H20N4S and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
Also Known As: BAS 07313181, 5-{[4-(tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine, F3098-7220, 3-(4-tert-Butyl-benzylsulfanyl)-5-methyl-[1,2,4]triazol-4-ylamine, 3-((4-(tert-butyl)benzyl)thio)-5-methyl-4H-1,2,4-triazol-4-amine
| Molecular Formula | C14H20N4S |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.14087 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 692751-43-2 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC2=CC=C(C=C2)C(C)(C)C |
| InChIKey | DCJIPWWWGXVSBE-UHFFFAOYSA-N |
Product Overview
5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine (CAS 692751-43-2), with molecular formula C14H20N4S and molecular weight 276.14 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine
Property Insights of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine
The XLogP value of 3.6 indicates that 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-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-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-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-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine?
The CAS number of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine is 692751-43-2.
What is the molecular formula of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine?
The molecular formula of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine is C14H20N4S.
What is the molecular weight of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine?
The molecular weight of 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine is 276.14 g/mol.
Where can I buy 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine?
You can request a quote for 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-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-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(Tert-butyl)phenyl]methylthio}-3-methyl-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.