(4,5-dimethylthiophen-3-yl)methanol

• ChemBase ID: 308149
• Molecular Formular: C7H10OS
• Molecular Mass: 142.2187
• Monoisotopic Mass: 142.04523594
• SMILES: c1(c(csc1C)CO)C
• Canonical SMILES: OCc1csc(c1C)C
• InChI: InChI=1S/C7H10OS/c1-5-6(2)9-4-7(5)3-8/h4,8H,3H2,1-2H3
• InChIKey: LPJCGFQYTJHIFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,5-dimethylthiophen-3-yl)methanol
• IUPAC Traditional name: (4,5-dimethylthiophen-3-yl)methanol
• Synonyms: (4,5-dimethyl-3-thienyl)methanol

Database IDs

• CAS Number: 119072-18-3
• MDL Number: MFCD11053922

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.14562
• LogD (pH = 7.4): 2.14562
• Log P: 2.14562
• Molar Refractivity: 40.0772 cm^3
• Polarizability: 14.957878 Å^3
• Polar Surface Area: 20.23 Å^2