5,5-Dimethyl-1,3-Cyclohexanedione Bis(Thiosemicarbazone)
[CAS# 82531-23-5]

Identification

• Name: 5,5-Dimethyl-1,3-Cyclohexanedione Bis(Thiosemicarbazone)
• Synonyms: [[(5E)-5-(Carbamothioylhydrazono)-3,3-Dimethyl-Cyclohexylidene]Amino]Thiourea Hydrochloride; [[(5E)-5-(Carbamothioylhydrazono)-3,3-Dimethylcyclohexylidene]Amino]Thiourea Hydrochloride; [[(5E)-3,3-Dimethyl-5-(Thiocarbamoylhydrazono)Cyclohexylidene]Amino]Thiourea Hydrochloride
• Molecular Formula: C₁₀H₁₉ClN₆S₂
• Molecular Weight: 322.87
• CAS Registry Number: 82531-23-5
• SMILES: [H+].CC1(C\C(=N/NC(=S)N)CC(=N/NC(=S)N)/C1)C.[Cl-]
• InChI: 1S/C10H18N6S2.ClH/c1-10(2)4-6(13-15-8(11)17)3-7(5-10)14-16-9(12)18;/h3-5H2,1-2H3,(H3,11,15,17)(H3,12,16,18);1H/b13-6-,14-7-
• InChIKey: KHTNCQCQKSPFNV-JCYQIASJSA-N

Properties

• Boiling point: 459.2°C at 760 mmHg (Cal.)
• Flash point: 231.5°C (Cal.)