thiolan-2-ylmethanol

• ChemBase ID: 285213
• Molecular Formular: C5H10OS
• Molecular Mass: 118.1973
• Monoisotopic Mass: 118.04523594
• SMILES: S1C(CO)CCC1
• Canonical SMILES: OCC1CCCS1
• InChI: InChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
• InChIKey: CCWMXACNCKOLEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiolan-2-ylmethanol
• IUPAC Traditional name: thiolan-2-ylmethanol
• Synonyms: thiolan-2-ylmethanol

Database IDs

• MDL Number: MFCD19668130
• PubChem SID: 180670744
• PubChem CID: 22395729

CALCULATED PROPERTIES

• Acid pKa: 15.100044
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6097544
• LogD (pH = 7.4): 0.6097544
• Log P: 0.6097544
• Molar Refractivity: 32.6198 cm^3
• Polarizability: 12.893702 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.516

Product Information

• Purity: 95%