6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Base Information

• Chemical Name: 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
• CAS No.: 80037-03-2
• Molecular Formula: C11H15 N3 O3 S
• Molecular Weight: 269.3201
• NSC Number: 307176
• DSSTox Substance ID: DTXSID20421910
• Wikidata: Q82233639
• Mol file: 80037-03-2.mol

Synonyms:NSC307176;80037-03-2;DTXSID20421910;NSC-307176

Chemical Property of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.34g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 269.08341252
• Heavy Atom Count: 18
• Complexity: 404

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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