2-(2-chloroethyl)thiophene

• ChemBase ID: 266922
• Molecular Formular: C6H7ClS
• Molecular Mass: 146.63778
• Monoisotopic Mass: 145.9956989
• SMILES: s1c(ccc1)CCCl
• Canonical SMILES: ClCCc1cccs1
• InChI: InChI=1S/C6H7ClS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
• InChIKey: FMOIXKQKOWLYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethyl)thiophene
• IUPAC Traditional name: 2-(2-chloroethyl)thiophene
• Synonyms: 2-(2-chloroethyl)thiophene

Database IDs

• MDL Number: MFCD11646274
• PubChem SID: 164322832
• PubChem CID: 11412456

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7620306
• LogD (pH = 7.4): 2.7620306
• Log P: 2.7620306
• Molar Refractivity: 37.6802 cm^3
• Polarizability: 14.418764 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.529

Product Information

• Purity: 95%