(5-Methoxy-4-oxo-4H-pyran-2-yl)methyl thiocyanate
[CAS# 675833-53-1]

Identification

• Name: (5-Methoxy-4-oxo-4H-pyran-2-yl)methyl thiocyanate
• Synonyms: 5-methoxy-2-(thiocyanatomethyl)-4H-pyran-4-one
• Molecular Formula: C₈H₇NO₃S
• Molecular Weight: 197.21
• CAS Registry Number: 675833-53-1
• SMILES: COc1coc(cc1=O)CSC#N
• InChI: 1S/C8H7NO3S/c1-11-8-3-12-6(2-7(8)10)4-13-5-9/h2-3H,4H2,1H3
• InChIKey: JQSYJYXRMKSGFK-UHFFFAOYSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 410.129°C at 760 mmHg (Cal.)
• Flash point: 201.839°C (Cal.)
• Refractive index: 1.569 (Cal.)