(2-bromothiophen-3-yl)methanol

• ChemBase ID: 101380
• Molecular Formular: C5H5BrOS
• Molecular Mass: 193.0616
• Monoisotopic Mass: 191.92444778
• SMILES: c1(c(scc1)Br)CO
• Canonical SMILES: OCc1ccsc1Br
• InChI: InChI=1S/C5H5BrOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2
• InChIKey: BOJYRNFSHPAZBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromothiophen-3-yl)methanol
• IUPAC Traditional name: (2-bromothiophen-3-yl)methanol
• Synonyms: (2-bromothien-3-yl)methanol

Database IDs

• CAS Number: 70260-16-1
• MDL Number: MFCD09025881
• PubChem SID: 162087931
• PubChem CID: 12479010

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.9210865
• Log P: 1.9210865
• Molar Refractivity: 36.7624 cm^3
• Polarizability: 14.480359 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.428645
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9210865

PROPERTIES

Product Information

• Purity: 95%