3',4',5'-Trimethylacetophenone Thiosemicarbazone
[CAS# 66969-03-7]

Identification

• Name: 3',4',5'-Trimethylacetophenone Thiosemicarbazone
• Synonyms: 3,4,5-Trimethylacetophenonethiosemicarbazone; Acetophenone, 3',4',5'-Trimethyl-, Thiosemicarbazone
• Molecular Formula: C₁₂H₁₇N₃S
• Molecular Weight: 235.35
• CAS Registry Number: 66969-03-7
• SMILES: C1=C(C(=N/NC(=S)N)\C)C=C(C(=C1C)C)C
• InChI: 1S/C12H17N3S/c1-7-5-11(6-8(2)9(7)3)10(4)14-15-12(13)16/h5-6H,1-4H3,(H3,13,15,16)/b14-10-
• InChIKey: XFWCERHQAWYSFZ-UVTDQMKNSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 386.742°C at 760 mmHg (Cal.)
• Flash point: 187.695°C (Cal.)