5-(thiophen-3-ylsulfanyl)thiophene-2,4-dicarbaldehyde

• ChemBase ID: 181173
• Molecular Formular: C10H6O2S3
• Molecular Mass: 254.34844
• Monoisotopic Mass: 253.95299243
• SMILES: c1(c(cc(s1)C=O)C=O)Sc1ccsc1
• Canonical SMILES: O=Cc1cc(sc1Sc1cscc1)C=O
• InChI: InChI=1S/C10H6O2S3/c11-4-7-3-9(5-12)15-10(7)14-8-1-2-13-6-8/h1-6H
• InChIKey: CMCSYOYIGRWXDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(thiophen-3-ylsulfanyl)thiophene-2,4-dicarbaldehyde
• IUPAC Traditional name: 5-(thiophen-3-ylsulfanyl)thiophene-2,4-dicarbaldehyde

Database IDs

• PubChem SID: 164237083
• PubChem CID: 927627

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4463193
• LogD (pH = 7.4): 3.4463193
• Log P: 3.4463193
• Molar Refractivity: 65.0657 cm^3
• Polarizability: 24.169563 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds