2-methyl-5-phenylthiophene

• ChemBase ID: 302700
• Molecular Formular: C11H10S
• Molecular Mass: 174.2621
• Monoisotopic Mass: 174.05032132
• SMILES: Cc1ccc(s1)c1ccccc1
• Canonical SMILES: Cc1ccc(s1)c1ccccc1
• InChI: InChI=1S/C11H10S/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: NEKXRPVOSZHILM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-phenylthiophene
• IUPAC Traditional name: 2-methyl-5-phenylthiophene
• Synonyms: 2-Methyl-5-phenylthiophene; 2-甲基-5-苯基噻吩

Database IDs

• CAS Number: 5069-26-1
• MDL Number: MFCD06201035

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.04348
• LogD (pH = 7.4): 4.04348
• Log P: 4.04348
• Molar Refractivity: 53.1404 cm^3
• Polarizability: 21.777958 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-49°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%