2-(thiophen-2-yl)benzaldehyde

• ChemBase ID: 77086
• Molecular Formular: C11H8OS
• Molecular Mass: 188.24562
• Monoisotopic Mass: 188.02958588
• SMILES: s1cccc1c1ccccc1C=O
• Canonical SMILES: O=Cc1ccccc1c1cccs1
• InChI: InChI=1S/C11H8OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H
• InChIKey: MWYVQGTVFMAUOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)benzaldehyde
• IUPAC Traditional name: 2-(thiophen-2-yl)benzaldehyde
• Synonyms: 2-thien-2-ylbenzaldehyde; 2-(Thien-2-yl)benzaldehyde 97%; 2-(Thiophen-2-yl)benzaldehyde

Database IDs

• CAS Number: 99902-07-5
• MDL Number: MFCD04039148
• PubChem SID: 162041960
• PubChem CID: 2795558

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1101215
• LogD (pH = 7.4): 3.1101215
• Log P: 3.1101215
• Molar Refractivity: 54.6681 cm^3
• Polarizability: 21.854893 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95+%; 97%