4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one
TL;DR: 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one (CAS 57989-76-1) is a chemical compound with molecular formula C7H12N4OS and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 4-amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4h)-one, 4-Amino-6-(tert-butyl)-3-mercapto-4,5-dihydro-1,2,4-triazin-5-one, EINECS 251-548-4, 4-amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 4-Amino-6-tert-butyl-3-mercapto-1,2,4-triazin-5(4H)-one
| Molecular Formula | C7H12N4OS |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.07318 |
| Heavy Atoms | 13 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 57989-76-1 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(=S)N(C1=O)N |
| InChIKey | OFKAVNQBCRJBJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one (CAS 57989-76-1), with molecular formula C7H12N4OS and molecular weight 200.07 g/mol. IUPAC: 4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one
Property Insights of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one. Following Lipinski's Rule of Five, 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one 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 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one?
The CAS number of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one is 57989-76-1.
What is the molecular formula of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one?
The molecular formula of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one is C7H12N4OS.
What is the molecular weight of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one?
The molecular weight of 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one is 200.07 g/mol.
Where can I buy 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one?
You can request a quote for 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.