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

• ChemBase ID: 80640
• Molecular Formular: C9H8OS2
• Molecular Mass: 196.28922
• Monoisotopic Mass: 196.00165688
• SMILES: s1c(ccc1CO)c1cccs1
• Canonical SMILES: OCc1ccc(s1)c1cccs1
• InChI: InChI=1S/C9H8OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5,10H,6H2
• InChIKey: PUWTXRUXHPHFSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(thiophen-2-yl)thiophen-2-yl]methanol
• IUPAC Traditional name: [5-(thiophen-2-yl)thiophen-2-yl]methanol
• Synonyms: (2,2'-Bithien-5-yl)methanol; 5-(Hydroxymethyl)-2,2'-bithiophene

Database IDs

• CAS Number: 3515-30-8
• MDL Number: MFCD02681900
• PubChem SID: 162067760
• PubChem CID: 2776422

CALCULATED PROPERTIES

• Acid pKa: 14.365065
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.539857
• LogD (pH = 7.4): 2.539857
• Log P: 2.539857
• Molar Refractivity: 51.574 cm^3
• Polarizability: 21.052427 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-45°C

Safety Information

• Storage Warning: Irritant/Keep Cold