![3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine structure](/static/products/577/57736-78-4.png)
3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
TL;DR: 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 57736-78-4) is a chemical compound with molecular formula C13H18N4OS and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: BAS 00609173, 3-((4-isopropoxybenzyl)thio)-5-methyl-4H-1,2,4-triazol-4-amine, 3-(4-Isopropoxy-benzylsulfanyl)-5-methyl-[1,2,4]triazol-4-ylamine, 3-methyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C13H18N4OS |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.37982 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.12012 |
| Heavy Atoms | 19 |
| Complexity | 536.0763 |
Chemical Identifiers
| CAS Number | 57736-78-4 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC2=CC=C(C=C2)OC(C)C |
Product Overview
3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 57736-78-4), with molecular formula C13H18N4OS and molecular weight 278.12 g/mol. IUPAC: 3-methyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
Property Insights of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
The XLogP value of 2.37982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 5 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-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The CAS number of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 57736-78-4.
What is the molecular formula of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is C13H18N4OS.
What is the molecular weight of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 278.12 g/mol.
Where can I buy 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-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-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.