6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one
TL;DR: 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one (CAS 93697-89-3) is a chemical compound with molecular formula C9H18N4OS and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one
Also Known As: 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one, 1,2,4-Triazin-5(4H)-one, 6-(1,1-dimethylethyl)-1,6-dihydro-4-(methylamino)-3-(methylthio)-, 4-methylamino-3-methylsulfanyl-6-tert-butyl-1,6-dihydro-1,2,4-triazin-5-one, 6-tert-Butyl-4-(methylamino)-3-(methylsulfanyl)-1,6-dihydro-1,2,4-triazin-5(4H)-one
| Molecular Formula | C9H18N4OS |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.12013 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 93697-89-3 |
|---|---|
| SMILES | CC(C)(C)C1C(=O)N(C(=NN1)SC)NC |
| InChIKey | XSALCVAPMLNHTH-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one (CAS 93697-89-3), with molecular formula C9H18N4OS and molecular weight 230.12 g/mol. IUPAC: 6-tert-butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one.
Chemical Property Profile of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one
Property Insights of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one has 2 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 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one?
The CAS number of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one is 93697-89-3.
What is the molecular formula of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one?
The molecular formula of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one is C9H18N4OS.
What is the molecular weight of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one?
The molecular weight of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one is 230.12 g/mol.
Where can I buy 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one?
You can request a quote for 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.