(4-tert-butyl-1,3-thiazol-2-yl)methanol

• ChemBase ID: 308768
• Molecular Formular: C8H13NOS
• Molecular Mass: 171.25992
• Monoisotopic Mass: 171.07178504
• SMILES: n1c(csc1CO)C(C)(C)C
• Canonical SMILES: OCc1scc(n1)C(C)(C)C
• InChI: InChI=1S/C8H13NOS/c1-8(2,3)6-5-11-7(4-10)9-6/h5,10H,4H2,1-3H3
• InChIKey: OQMKVPYMYZSPCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 475059-74-6
• MDL Number: MFCD12827486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8687116
• LogD (pH = 7.4): 1.8687611
• Log P: 1.8687619
• Molar Refractivity: 45.7032 cm^3
• Polarizability: 17.859064 Å^3
• Polar Surface Area: 33.12 Å^2