6-(3-oxobut-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione

Base Information

• Chemical Name: 6-(3-oxobut-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione
• CAS No.: 80037-01-0
• Molecular Formula: C7H7 N3 O3 S
• Molecular Weight: 213.21
• NSC Number: 307174
• Mol file: 80037-01-0.mol

Synonyms:80037-01-0;6-(3-oxobut-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione;NSC307174;NSC-307174

Chemical Property of 6-(3-oxobut-1-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione

Chemical Property:

• Density: 1.56g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.02081227
• Heavy Atom Count: 14
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CSC1=NNC(=O)NC1=O
• Isomeric SMILES: CC(=O)/C=C/SC1=NNC(=O)NC1=O