2,5-dimethoxythiophene

• ChemBase ID: 85957
• Molecular Formular: C6H8O2S
• Molecular Mass: 144.19152
• Monoisotopic Mass: 144.0245005
• SMILES: s1c(ccc1OC)OC
• Canonical SMILES: COc1ccc(s1)OC
• InChI: InChI=1S/C6H8O2S/c1-7-5-3-4-6(8-2)9-5/h3-4H,1-2H3
• InChIKey: FPRUDKWOQNIYOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxythiophene
• IUPAC Traditional name: 2,5-dimethoxythiophene
• Synonyms: 2,5-dimethoxythiophene

Database IDs

• MDL Number: MFCD01096545
• PubChem SID: 162073073
• PubChem CID: 143545

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7703372
• LogD (pH = 7.4): 1.7703372
• Log P: 1.7703372
• Molar Refractivity: 34.41 cm^3
• Polarizability: 14.076474 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true