3-Thiophenecarboxaldehyde

• CAS: 498-62-4
• Catalog Number: ACM498624
• Category: Thiophenes
• Molecular Weight: 112.15g/mol
• Molecular Formula: C5H4OS
• Synonyms: Thiophene-3-carbaldehyde
• IUPAC Name: thiophene-3-carbaldehyde
• Canonical SMILES: C1=CSC=C1C=O
• InChI: InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
• InChI Key: RBIGKSZIQCTIJF-UHFFFAOYSA-N
• Boiling Point: 194-196 °C
• Melting Point: -30 °C
• Flash Point: 75 °C
• Density: 1.28 g/mL at 25 °C(lit.)
• Appearance: Light Yellow Liquid
• Complexity: 72.5
• Covalently-Bonded Unit Count: 1
• EC Number: 207-865-5
• Exact Mass: 111.998286g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 7
• LogP: 1.01 (LogP)
• Monoisotopic Mass: 111.998286g/mol
• NSC Number: 172858
• Rotatable Bond Count: 1
• XLogP3: 1