5-(4-Isothiocyanatophenyl)-1,3,4-Oxadiazole-2-Thiol
[CAS# 178812-32-3]

Identification

• Name: 5-(4-Isothiocyanatophenyl)-1,3,4-Oxadiazole-2-Thiol
• Synonyms: 5-(4-isothiocyanatophenyl)-1,3,4-oxadiazole-2(3H)-thione
• Molecular Formula: C₉H₅N₃OS₂
• Molecular Weight: 235.29
• CAS Registry Number: 178812-32-3
• SMILES: C1=CC(=CC=C1C2=NN=C(O2)S)N=C=S
• InChI: 1S/C9H5N3OS2/c14-5-10-7-3-1-6(2-4-7)8-11-12-9(15)13-8/h1-4H,(H,12,15)
• InChIKey: VBGZBLOXMSJIRP-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 407.2±47.0°C at 760 mmHg (Cal.)
• Flash point: 200.1±29.3°C (Cal.)
• Refractive index: 1.743 (Cal.)