2-(dimethyl-1,3-thiazol-4-yl)phenol

• ChemBase ID: 300153
• Molecular Formular: C11H11NOS
• Molecular Mass: 205.27614
• Monoisotopic Mass: 205.05613498
• SMILES: Cc1c(nc(s1)C)c1ccccc1O
• Canonical SMILES: Cc1sc(c(n1)c1ccccc1O)C
• InChI: InChI=1S/C11H11NOS/c1-7-11(12-8(2)14-7)9-5-3-4-6-10(9)13/h3-6,13H,1-2H3
• InChIKey: USEIKZJSIKCYCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-4-yl)phenol
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-4-yl)phenol
• Synonyms: 2,5-Dimethyl-4-(2-hydroxyphenyl)thiazole

Database IDs

• MDL Number: MFCD22682988

CALCULATED PROPERTIES

• Acid pKa: 9.118007
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1288774
• LogD (pH = 7.4): 3.1222744
• Log P: 3.1304746
• Molar Refractivity: 57.5085 cm^3
• Polarizability: 23.181757 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%