2-chloro-5-(1-chloroethyl)thiophene

• ChemBase ID: 245229
• Molecular Formular: C6H6Cl2S
• Molecular Mass: 181.08284
• Monoisotopic Mass: 179.95672655
• SMILES: s1c(ccc1Cl)C(Cl)C
• Canonical SMILES: Clc1ccc(s1)C(Cl)C
• InChI: InChI=1S/C6H6Cl2S/c1-4(7)5-2-3-6(8)9-5/h2-4H,1H3
• InChIKey: ZXZAJCQGPFBGCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(1-chloroethyl)thiophene
• IUPAC Traditional name: 2-chloro-5-(1-chloroethyl)thiophene
• Synonyms: 2-chloro-5-(1-chloroethyl)thiophene

Database IDs

• MDL Number: MFCD12789021
• PubChem SID: 164301139
• PubChem CID: 14671825

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.659985
• LogD (pH = 7.4): 3.659985
• Log P: 3.659985
• Molar Refractivity: 41.1983 cm^3
• Polarizability: 16.484129 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.634

Product Information

• Purity: 95%