1-Isopropyl-5-Thioxo-1,2,4-Triazolidin-3-One
[CAS# 42838-86-8]

Identification

• Name: 1-Isopropyl-5-Thioxo-1,2,4-Triazolidin-3-One
• Synonyms: 1-isopropyl-5-thioxo-1,2,4-triazolidin-3-one
• Molecular Formula: C₅H₉N₃OS
• Molecular Weight: 159.21
• CAS Registry Number: 42838-86-8
• SMILES: Oc1nc(S)n(n1)C(C)C
• InChI: 1S/C5H9N3OS/c1-3(2)8-5(10)6-4(9)7-8/h3H,1-2H3,(H2,6,7,9,10)
• InChIKey: KVILTQJGHVTFSH-UHFFFAOYSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 347.673°C at 760 mmHg (Cal.)
• Flash point: 164.067°C (Cal.)