4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol (CAS 73396-58-4) is a chemical compound with molecular formula C6H12N4S and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-tert-butyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol, 3,4-Dichlorobenzoylacetonitrile, 4-amino-3-tert-butyl-1H-1,2,4-triazole-5-thione, 4-Amino-5-(tert-butyl)-4H-1,2,4-triazole-3-thiol, 4-amino-5-tert-butyl-1,2,4-triazole-3-thiol
| Molecular Formula | C6H12N4S |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 0.95199 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.07826 |
| Heavy Atoms | 11 |
| Complexity | 303.11755 |
Chemical Identifiers
| CAS Number | 73396-58-4 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(=S)N1N |
Product Overview
4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol (CAS 73396-58-4), with molecular formula C6H12N4S and molecular weight 172.08 g/mol. IUPAC: 4-amino-3-tert-butyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.95199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.63 Ų, 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 3 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 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol is 73396-58-4.
What is the molecular formula of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol is C6H12N4S.
What is the molecular weight of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol is 172.08 g/mol.
Where can I buy 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.