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

• ChemBase ID: 88455
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: n1c(C2CC2)scc1CO
• Canonical SMILES: OCc1csc(n1)C1CC1
• InChI: InChI=1S/C7H9NOS/c9-3-6-4-10-7(8-6)5-1-2-5/h4-5,9H,1-3H2
• InChIKey: VKWKFTDGZIIVGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162104634
• PubChem CID: 20079576

CALCULATED PROPERTIES

• Acid pKa: 13.933843
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8487179
• LogD (pH = 7.4): 0.84901774
• Log P: 0.8490217
• Molar Refractivity: 39.4 cm^3
• Polarizability: 15.3113785 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold