![4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one structure](/static/products/1329/1329018-07-6.webp)
4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
TL;DR: 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (CAS 1329018-07-6) is a chemical compound with molecular formula C11H10N4OS and molecular weight 246.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: SDCCGMLS-0064892.P001, IDI1_020043, J1.280.009F, 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one, 3-Mercapto-4-(benzylideneamino)-6-methyl-1,2,4-triazine-5(4H)-one
Technical Specifications
| Molecular Formula | C11H10N4OS |
| Molecular Weight | 246.05753 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05753 Da |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
| SMILES | CC1=NNC(=S)N(C1=O)/N=C/C2=CC=CC=C2 |
| InChIKey | MOOMLGXYYAWRCU-KPKJPENVSA-N |
Chemical Property Profile of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Property Insights of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The CAS number of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is 1329018-07-6.
What is the molecular formula of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The molecular formula of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is C11H10N4OS.
What is the molecular weight of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The molecular weight of 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is 246.05753 g/mol.
Where can I buy 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
You can request a quote for 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-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 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
Yes, CoreyChem provides custom synthesis services for 4-[(E)-benzylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.