(4-cyclopropyl-1,3-thiazol-2-yl)methanol

• ChemBase ID: 246665
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: n1c(C2CC2)csc1CO
• Canonical SMILES: OCc1scc(n1)C1CC1
• InChI: InChI=1S/C7H9NOS/c9-3-7-8-6(4-10-7)5-1-2-5/h4-5,9H,1-3H2
• InChIKey: BKDYOUFIADRAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-cyclopropyl-1,3-thiazol-2-yl)methanol
• IUPAC Traditional name: (4-cyclopropyl-1,3-thiazol-2-yl)methanol
• Synonyms: (4-cyclopropyl-1,3-thiazol-2-yl)methanol

Database IDs

• MDL Number: MFCD19606980
• PubChem SID: 164302575
• PubChem CID: 63907038

CALCULATED PROPERTIES

• Acid pKa: 13.701896
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8489645
• LogD (pH = 7.4): 0.8490207
• Log P: 0.8490217
• Molar Refractivity: 39.4 cm^3
• Polarizability: 15.312245 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.391

Product Information

• Purity: 95%