![3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine structure](/static/products/861/861925-01-1.png)
3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine
TL;DR: 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine (CAS 861925-01-1) is a chemical compound with molecular formula C7H14N4S and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-amine
Also Known As: starbld0039831, 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine, 3-(Isopentylthio)-1H-1,2,4-triazol-5-amine, 3-[(3-methylbutyl)sulfanyl]-1H-1,2,4-triazol-5-amine, 3-isopentylsulfanyl-1H-1,2,4-triazol-5-amine
| Molecular Formula | C7H14N4S |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.5251 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.09392 |
| Heavy Atoms | 12 |
| Complexity | 233.06517 |
Chemical Identifiers
| CAS Number | 861925-01-1 |
|---|---|
| SMILES | CC(C)CCSC1=NNC(=N1)N |
Product Overview
3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine (CAS 861925-01-1), with molecular formula C7H14N4S and molecular weight 186.09 g/mol. IUPAC: 3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine
Property Insights of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine
The XLogP value of 1.5251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine has 2 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-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine?
The CAS number of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine is 861925-01-1.
What is the molecular formula of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine is C7H14N4S.
What is the molecular weight of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine is 186.09 g/mol.
Where can I buy 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-methylbutyl)thio]-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.