1-[5-(thiophen-2-yl)thiophen-2-yl]ethan-1-one

• ChemBase ID: 215859
• Molecular Formular: C10H8OS2
• Molecular Mass: 208.29992
• Monoisotopic Mass: 208.00165688
• SMILES: s1c(c2sccc2)ccc1C(=O)C
• Canonical SMILES: CC(=O)c1ccc(s1)c1cccs1
• InChI: InChI=1S/C10H8OS2/c1-7(11)8-4-5-10(13-8)9-3-2-6-12-9/h2-6H,1H3
• InChIKey: GKGAOTYPISAEEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(thiophen-2-yl)thiophen-2-yl]ethan-1-one
• IUPAC Traditional name: 1-[5-(thiophen-2-yl)thiophen-2-yl]ethanone

Database IDs

• PubChem SID: 164271769
• PubChem CID: 606422

CALCULATED PROPERTIES

• Acid pKa: 14.891943
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.864854
• LogD (pH = 7.4): 2.864854
• Log P: 2.864854
• Molar Refractivity: 55.1609 cm^3
• Polarizability: 22.347351 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds