3-[(2-formylthiophen-3-yl)sulfanyl]thiophene-2-carbaldehyde

• ChemBase ID: 201110
• Molecular Formular: C10H6O2S3
• Molecular Mass: 254.34844
• Monoisotopic Mass: 253.95299243
• SMILES: c1(c(scc1)C=O)Sc1c(scc1)C=O
• Canonical SMILES: O=Cc1sccc1Sc1ccsc1C=O
• InChI: InChI=1S/C10H6O2S3/c11-5-9-7(1-3-13-9)15-8-2-4-14-10(8)6-12/h1-6H
• InChIKey: IIWRBHZYXRYAMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-formylthiophen-3-yl)sulfanyl]thiophene-2-carbaldehyde
• IUPAC Traditional name: 3-[(2-formylthiophen-3-yl)sulfanyl]thiophene-2-carbaldehyde

Database IDs

• PubChem SID: 164257020
• PubChem CID: 908732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4127626
• LogD (pH = 7.4): 3.4127626
• Log P: 3.4127626
• Molar Refractivity: 65.6899 cm^3
• Polarizability: 24.162012 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds