ethyl 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylate

• ChemBase ID: 300167
• Molecular Formular: C10H13NO2S
• Molecular Mass: 211.28072
• Monoisotopic Mass: 211.06669966
• SMILES: C1(CC1)c1sc(c(n1)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1sc(nc1C)C1CC1
• InChI: InChI=1S/C10H13NO2S/c1-3-13-10(12)8-6(2)11-9(14-8)7-4-5-7/h7H,3-5H2,1-2H3
• InChIKey: BMOWAHYIBJQJIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylate
• IUPAC Traditional name: ethyl 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylate
• Synonyms: 2-Cyclopropyl-4-methylthiazole-5-carboxylic acid ethyl ester; Ethyl 2-cyclopropyl-4-methylthiazole-5-carboxylate

Database IDs

• MDL Number: MFCD22988967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1589804
• LogD (pH = 7.4): 2.158994
• Log P: 2.158994
• Molar Refractivity: 54.2558 cm^3
• Polarizability: 20.91393 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• 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%