thiophen-2-ol

• ChemBase ID: 247932
• Molecular Formular: C4H4OS
• Molecular Mass: 100.13896
• Monoisotopic Mass: 99.99828575
• SMILES: c1(sccc1)O
• Canonical SMILES: Oc1cccs1
• InChI: InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-3,5H
• InChIKey: WZMPOCLULGAHJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-2-ol
• IUPAC Traditional name: thiophen-2-ol
• Synonyms: thiophen-2-ol

Database IDs

• MDL Number: MFCD01075765
• PubChem SID: 164303842
• PubChem CID: 10909502

CALCULATED PROPERTIES

• Acid pKa: 6.9201097
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6005311
• LogD (pH = 7.4): 1.0582265
• Log P: 1.6161184
• Molar Refractivity: 24.3046 cm^3
• Polarizability: 9.619318 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.333

Product Information

• Purity: 95%