(5-bromothiophen-3-yl)methanol

• ChemBase ID: 264513
• Molecular Formular: C5H5BrOS
• Molecular Mass: 193.0616
• Monoisotopic Mass: 191.92444778
• SMILES: c1(scc(c1)CO)Br
• Canonical SMILES: OCc1csc(c1)Br
• InChI: InChI=1S/C5H5BrOS/c6-5-1-4(2-7)3-8-5/h1,3,7H,2H2
• InChIKey: HHIFWYCYZWPETO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromothiophen-3-yl)methanol
• IUPAC Traditional name: (5-bromothiophen-3-yl)methanol
• Synonyms: (5-bromothiophen-3-yl)methanol

Database IDs

• MDL Number: MFCD12138023
• PubChem SID: 164320423
• PubChem CID: 19006171

CALCULATED PROPERTIES

• Acid pKa: 14.542654
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9210865
• LogD (pH = 7.4): 1.9210865
• Log P: 1.9210865
• Molar Refractivity: 36.7624 cm^3
• Polarizability: 14.479489 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 42°C
• Hydrophobicity(logP): 1.655

Product Information

• Purity: 95%