(5-chlorothiophen-2-yl)methanol

• ChemBase ID: 263699
• Molecular Formular: C5H5ClOS
• Molecular Mass: 148.6106
• Monoisotopic Mass: 147.97496346
• SMILES: s1c(ccc1CO)Cl
• Canonical SMILES: OCc1ccc(s1)Cl
• InChI: InChI=1S/C5H5ClOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
• InChIKey: WMKPGPCVKFXIHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chlorothiophen-2-yl)methanol
• IUPAC Traditional name: (5-chlorothiophen-2-yl)methanol
• Synonyms: (5-chlorothiophen-2-yl)methanol

Database IDs

• MDL Number: MFCD06202649
• PubChem SID: 164319609
• PubChem CID: 12554178

CALCULATED PROPERTIES

• Acid pKa: 14.264586
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.888818
• LogD (pH = 7.4): 1.888818
• Log P: 1.888818
• Molar Refractivity: 33.7285 cm^3
• Polarizability: 13.442149 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.505

Product Information

• Purity: 95%