5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene

• ChemBase ID: 277146
• Molecular Formular: C15H14Cl2S2
• Molecular Mass: 329.30766
• Monoisotopic Mass: 327.99139781
• SMILES: Cc1sc(Cl)cc1C1=C(CCC1)c1cc(Cl)sc1C
• Canonical SMILES: Clc1sc(c(c1)C1=C(CCC1)c1cc(sc1C)Cl)C
• InChI: InChI=1S/C15H14Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-7H,3-5H2,1-2H3
• InChIKey: DGZQNPCSQDROIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene
• IUPAC Traditional name: 5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene
• Synonyms: 5-chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene

Database IDs

• MDL Number: MFCD19382349
• PubChem SID: 164333056
• PubChem CID: 11121030

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2854056
• LogD (pH = 7.4): 7.2854056
• Log P: 7.2854056
• Molar Refractivity: 85.1292 cm^3
• Polarizability: 32.989452 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 7.257

Product Information

• Purity: 95%