![6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one structure](/static/products/794/79481-93-9.png)
6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
TL;DR: 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one (CAS 79481-93-9) is a chemical compound with molecular formula C15H16Cl2N4OS and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one, (E)-6-(tert-butyl)-4-((2,6-dichlorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one, 4-[(1E)-2-(2,6-dichlorophenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-t riazin-5-one, 6-tert-butyl-4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
| Molecular Formula | C15H16Cl2N4OS |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 3.8467 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.04218 |
| Heavy Atoms | 23 |
| Complexity | 791.8498 |
Chemical Identifiers
| CAS Number | 79481-93-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=C(C=CC=C2Cl)Cl)SC |
Product Overview
6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one (CAS 79481-93-9), with molecular formula C15H16Cl2N4OS and molecular weight 370.04 g/mol. IUPAC: 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Property Insights of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
The XLogP value of 3.8467 indicates that 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-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
Frequently Asked Questions
What is the CAS number of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
The CAS number of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one is 79481-93-9.
What is the molecular formula of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
The molecular formula of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one is C15H16Cl2N4OS.
What is the molecular weight of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
The molecular weight of 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one is 370.04 g/mol.
Where can I buy 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
You can request a quote for 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-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-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.