3-[2-(2,5-dimethylthiophen-3-yl)cyclopent-1-en-1-yl]-2,5-dimethylthiophene

• ChemBase ID: 282567
• Molecular Formular: C17H20S2
• Molecular Mass: 288.4707
• Monoisotopic Mass: 288.10064264
• SMILES: c1(C2=C(c3c(sc(c3)C)C)CCC2)c(sc(c1)C)C
• Canonical SMILES: Cc1sc(c(c1)C1=C(CCC1)c1cc(sc1C)C)C
• InChI: InChI=1S/C17H20S2/c1-10-8-16(12(3)18-10)14-6-5-7-15(14)17-9-11(2)19-13(17)4/h8-9H,5-7H2,1-4H3
• InChIKey: BSJQLYWEGJKBGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,5-dimethylthiophen-3-yl)cyclopent-1-en-1-yl]-2,5-dimethylthiophene
• IUPAC Traditional name: 3-[2-(2,5-dimethylthiophen-3-yl)cyclopent-1-en-1-yl]-2,5-dimethylthiophene
• Synonyms: 3-[2-(2,5-dimethylthiophen-3-yl)cyclopent-1-en-1-yl]-2,5-dimethylthiophene

Database IDs

• MDL Number: MFCD18380764
• PubChem SID: 180668098
• PubChem CID: 50987702

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.037046
• LogD (pH = 7.4): 7.037046
• Log P: 7.037046
• Molar Refractivity: 87.3124 cm^3
• Polarizability: 32.648335 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.745

Product Information

• Purity: 95%