5-propylthiophene-2-carbaldehyde

• ChemBase ID: 17108
• Molecular Formular: C8H10OS
• Molecular Mass: 154.2294
• Monoisotopic Mass: 154.04523594
• SMILES: c1(sc(cc1)C=O)CCC
• Canonical SMILES: CCCc1ccc(s1)C=O
• InChI: InChI=1S/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
• InChIKey: LWPDFFNCKYNEOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propylthiophene-2-carbaldehyde
• IUPAC Traditional name: 5-propylthiophene-2-carbaldehyde
• Synonyms: 5-propylthiophene-2-carbaldehyde; 5-Propyl-thiophene-2-carbaldehyde

Database IDs

• MDL Number: MFCD07186394
• PubChem SID: 160980415
• PubChem CID: 3159601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1336277
• LogD (pH = 7.4): 3.1336277
• Log P: 3.1336277
• Molar Refractivity: 43.7132 cm^3
• Polarizability: 16.334766 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.873

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%