6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one
TL;DR: 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one (CAS 57052-04-7) is a chemical compound with molecular formula C12H20N4OS and molecular weight 268.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-tert-butyl-4-(2-methylpropylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: Isomethiozin, Tantizon, Isomethiozin [ISO], DIC 1577, 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20N4OS |
| Molecular Weight | 268.13577 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.13577 Da |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
| SMILES | CC(C)C=NN1C(=O)C(=NN=C1SC)C(C)(C)C |
| InChIKey | MZTLOILRKLUURT-UHFFFAOYSA-N |
Chemical Property Profile of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one
Property Insights of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one
The XLogP value of 3.5 indicates that 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one?
The CAS number of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one is 57052-04-7.
What is the molecular formula of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one?
The molecular formula of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one is C12H20N4OS.
What is the molecular weight of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one?
The molecular weight of 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one is 268.13577 g/mol.
Where can I buy 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one?
You can request a quote for 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one?
Yes, CoreyChem provides custom synthesis services for 6-tert-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.