Actidione, thiosemicarbazone

Base Information

• Chemical Name: Actidione, thiosemicarbazone
• CAS No.: 4562-20-3
• Molecular Formula: C16H26N4O3S
• Molecular Weight: 354.4676
• NSC Number: 17254
• DSSTox Substance ID: DTXSID40424862
• Mol file: 4562-20-3.mol

Synonyms:Actidione, thiosemicarbazone;4562-20-3;DTXSID40424862;CYCLOHEXIMIDE THIOSEMICARBAZONE;NSC-17254

Chemical Property of Actidione, thiosemicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 11.59±0.40(Predicted)
• Flash Point: °C
• PSA: 148.90000
• Density: 1.45g/cm³
• LogP: 2.08160
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 354.17256188
• Heavy Atom Count: 24
• Complexity: 535

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(=NNC(=S)N)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
• Isomeric SMILES: CC1CC(/C(=N/NC(=S)N)/C(C1)C(CC2CC(=O)NC(=O)C2)O)C

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