2-(chloromethyl)-5-phenylthiophene

• ChemBase ID: 801586
• Molecular Formular: C11H9ClS
• Molecular Mass: 208.70716
• Monoisotopic Mass: 208.01134897
• SMILES: s1c(ccc1c1ccccc1)CCl
• Canonical SMILES: ClCc1ccc(s1)c1ccccc1
• InChI: InChI=1S/C11H9ClS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8H2
• InChIKey: FJZPOPAJOIHQSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-phenylthiophene
• IUPAC Traditional name: 2-(chloromethyl)-5-phenylthiophene
• Synonyms: 2-(CHLOROMETHYL)-5-PHENYLTHIOPHENE

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1173005
• LogD (pH = 7.4): 4.1173005
• Log P: 4.1173005
• Molar Refractivity: 57.7351 cm^3
• Polarizability: 23.599964 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%