[5-(furan-2-yl)thiophen-2-yl]methanol

• ChemBase ID: 88745
• Molecular Formular: C9H8O2S
• Molecular Mass: 180.22362
• Monoisotopic Mass: 180.0245005
• SMILES: s1c(ccc1CO)c1ccco1
• Canonical SMILES: OCc1ccc(s1)c1ccco1
• InChI: InChI=1S/C9H8O2S/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5,10H,6H2
• InChIKey: NQUWBSVOCVFVGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(furan-2-yl)thiophen-2-yl]methanol
• IUPAC Traditional name: [5-(furan-2-yl)thiophen-2-yl]methanol
• Synonyms: (5-Fur-2-ylthiophen-2-yl)methanol; 5-(Fur-2-yl)-2-(hydroxymethyl)thiophene; [5-(2-furyl)thien-2-yl]methanol

Database IDs

• CAS Number: 868755-65-1
• MDL Number: MFCD08690271
• PubChem SID: 162075654
• PubChem CID: 17765461

CALCULATED PROPERTIES

• Acid pKa: 14.280133
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8229555
• LogD (pH = 7.4): 1.8229555
• Log P: 1.8229555
• Molar Refractivity: 47.075 cm^3
• Polarizability: 19.267633 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55.5-57°C

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 97%