2(5 H)-Thiophenone
[CAS# 3354-32-3]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Thiophene compound
• Name: 2(5 H)-Thiophenone
• Synonyms: 322628_Aldrich; Inchi=1/C4h4os/C5-4-2-1-3-6-4/H1-2H,3H; 2-Butenoic Acid, 4-Mercapto-, .Gamma.-(Thio Lactone)
• Molecular Formula: C₄H₄OS
• Molecular Weight: 100.14
• CAS Registry Number: 3354-32-3
• SMILES: O=C1C=CCS1
• InChI: 1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2
• InChIKey: NMSLUAZZTFUUFZ-UHFFFAOYSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 208.066°C at 760 mmHg (Cal.)
• Flash point: 92.257°C (Cal.)