thiophene-2,4-dicarbaldehyde

• ChemBase ID: 76581
• Molecular Formular: C6H4O2S
• Molecular Mass: 140.15976
• Monoisotopic Mass: 139.99320037
• SMILES: s1c(cc(c1)C=O)C=O
• Canonical SMILES: O=Cc1scc(c1)C=O
• InChI: InChI=1S/C6H4O2S/c7-2-5-1-6(3-8)9-4-5/h1-4H
• InChIKey: JJUMWUDQTQMMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-2,4-dicarbaldehyde
• IUPAC Traditional name: thiophene-2,4-dicarbaldehyde
• Synonyms: Thiophene-2,4-dicarboxaldehyde

Database IDs

• MDL Number: MFCD03990651
• PubChem SID: 162041485
• PubChem CID: 1415677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3111318
• LogD (pH = 7.4): 1.3111318
• Log P: 1.3111318
• Molar Refractivity: 36.1159 cm^3
• Polarizability: 12.865667 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant