1-Thiochromone
[CAS# 491-39-4]

Identification

• Name: 1-Thiochromone
• Synonyms: 4-Thiochromenone; St5446462; Zinc00388137
• Molecular Formula: C₉H₆OS
• Molecular Weight: 162.21
• CAS Registry Number: 491-39-4
• SMILES: C1=CC=CC2=C1SC=CC2=O
• InChI: 1S/C9H6OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
• InChIKey: DHSYDTXGFJPXKA-UHFFFAOYSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 266.721°C at 760 mmHg (Cal.)
• Flash point: 133.526°C (Cal.)

References

• (1): Benjamin Willy, Walter FrankX-Ray structure analyses. and Thomas J. J. Müller. Microwave-assisted three-component coupling-addition-SAr (CASNAR) sequences to annelated 4H-thiopyran-4-ones, Org. Biomol. Chem., 2010, 8, 90.