4-(5-Sulfanylidene-1,2,4-Triazolidin-3-Ylidene)Cyclohexa-2,5-Dien-1-One
[CAS# 3414-96-8]

Identification

• Name: 4-(5-Sulfanylidene-1,2,4-Triazolidin-3-Ylidene)Cyclohexa-2,5-Dien-1-One
• Synonyms: 4-(5-Thioxo-1,2,4-Triazolidin-3-Ylidene)Cyclohexa-2,5-Dien-1-One; 4-(5-Thioxo-1,2,4-Triazolidin-3-Ylidene)-1-Cyclohexa-2,5-Dienone; Zinc04190538
• Molecular Formula: C₈H₇N₃OS
• Molecular Weight: 193.22
• CAS Registry Number: 3414-96-8
• SMILES: O=C2C=CC(=C1NC(=S)NN1)C=C2
• InChI: 1S/C8H7N3OS/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,10H,(H2,9,11,13)
• InChIKey: AAERTDKTMDUEPV-UHFFFAOYSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 268.618°C at 760 mmHg (Cal.)
• Flash point: 116.256°C (Cal.)