5-(3-iodophenyl)thiophene-2-carbaldehyde

• ChemBase ID: 811536
• Molecular Formular: C11H7IOS
• Molecular Mass: 314.14215
• Monoisotopic Mass: 313.92623384
• SMILES: s1c(ccc1c1cc(ccc1)I)C=O
• Canonical SMILES: O=Cc1ccc(s1)c1cccc(c1)I
• InChI: InChI=1S/C11H7IOS/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
• InChIKey: KTRZGXUTVSUCAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-iodophenyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(3-iodophenyl)thiophene-2-carbaldehyde
• Synonyms: 5-(3-IODOPHENYL)THIOPHENE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1715055
• LogD (pH = 7.4): 4.1715055
• Log P: 4.1715055
• Molar Refractivity: 67.8147 cm^3
• Polarizability: 26.87684 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%