5-Amino-3-Isobutyryl-1,3,4-Thiadiazol-2(3H)-One
[CAS# 213187-31-6]

Identification

• Name: 5-Amino-3-Isobutyryl-1,3,4-Thiadiazol-2(3H)-One
• Molecular Formula: C₆H₉N₃O₂S
• Molecular Weight: 187.22
• CAS Registry Number: 213187-31-6
• SMILES: O=C(N1/N=C(\SC1=O)N)C(C)C
• InChI: 1S/C6H9N3O2S/c1-3(2)4(10)9-6(11)12-5(7)8-9/h3H,1-2H3,(H2,7,8)
• InChIKey: IFSMDEIERMXLST-UHFFFAOYSA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 298.444°C at 760 mmHg (Cal.)
• Flash point: 134.294°C (Cal.)
• Refractive index: 1.685 (Cal.)