4-(thiophen-2-yl)thiophene-2-carbaldehyde

• ChemBase ID: 256998
• Molecular Formular: C9H6OS2
• Molecular Mass: 194.27334
• Monoisotopic Mass: 193.98600681
• SMILES: c1(c2sccc2)cc(sc1)C=O
• Canonical SMILES: O=Cc1scc(c1)c1cccs1
• InChI: InChI=1S/C9H6OS2/c10-5-8-4-7(6-12-8)9-2-1-3-11-9/h1-6H
• InChIKey: BTZMKZIXZVISIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-2-yl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 4-(thiophen-2-yl)thiophene-2-carbaldehyde
• Synonyms: 2,3'-bithiophene-5'-carbaldehyde

Database IDs

• MDL Number: MFCD06802084
• PubChem SID: 164312908
• PubChem CID: 16768544

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0230029
• LogD (pH = 7.4): 3.0230029
• Log P: 3.0230029
• Molar Refractivity: 51.558 cm^3
• Polarizability: 20.496002 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 3.063

Product Information

• Purity: 95%