1-(thiophen-3-yl)propan-2-ol

• ChemBase ID: 246177
• Molecular Formular: C7H10OS
• Molecular Mass: 142.2187
• Monoisotopic Mass: 142.04523594
• SMILES: s1cc(cc1)CC(O)C
• Canonical SMILES: CC(Cc1cscc1)O
• InChI: InChI=1S/C7H10OS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,8H,4H2,1H3
• InChIKey: TZNKFBAAGCSCIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-yl)propan-2-ol
• IUPAC Traditional name: 1-(thiophen-3-yl)propan-2-ol
• Synonyms: 1-(thiophen-3-yl)propan-2-ol

Database IDs

• MDL Number: MFCD16821006
• PubChem SID: 164302087
• PubChem CID: 22901911

CALCULATED PROPERTIES

• Acid pKa: 15.49513
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6915742
• LogD (pH = 7.4): 1.6915742
• Log P: 1.6915742
• Molar Refractivity: 39.1535 cm^3
• Polarizability: 15.041409 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.288

Product Information

• Purity: 95%