(2,5-dimethylthiophen-3-yl)methanol

• ChemBase ID: 264003
• Molecular Formular: C7H10OS
• Molecular Mass: 142.2187
• Monoisotopic Mass: 142.04523594
• SMILES: c1(c(sc(c1)C)C)CO
• Canonical SMILES: OCc1cc(sc1C)C
• InChI: InChI=1S/C7H10OS/c1-5-3-7(4-8)6(2)9-5/h3,8H,4H2,1-2H3
• InChIKey: CVQUIXMHNWJFGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-dimethylthiophen-3-yl)methanol
• IUPAC Traditional name: (2,5-dimethylthiophen-3-yl)methanol
• Synonyms: (2,5-dimethylthiophen-3-yl)methanol

Database IDs

• MDL Number: MFCD11208334
• PubChem SID: 164319913
• PubChem CID: 19957410

CALCULATED PROPERTIES

• Acid pKa: 14.748539
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2780597
• LogD (pH = 7.4): 2.2780595
• Log P: 2.2780597
• Molar Refractivity: 40.0923 cm^3
• Polarizability: 14.961422 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.698

Product Information

• Purity: 95%