Methyl 3-thiazol-2-yl-benzoate

Base Information

• Chemical Name: Methyl 3-thiazol-2-yl-benzoate
• CAS No.: 168618-63-1
• Molecular Formula: C11H9NO2S
• Molecular Weight: 219.26
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80596734
• Wikidata: Q82492066
• Mol file: 168618-63-1.mol

Synonyms:Methyl 3-thiazol-2-yl-benzoate;168618-63-1;Methyl 3-(thiazol-2-yl)benzoate;methyl 3-(1,3-thiazol-2-yl)benzoate;Benzoic acid, 3-(2-thiazolyl)-, methyl ester;SCHEMBL3741524;DTXSID80596734;YXIVASOYIRWGFB-UHFFFAOYSA-N;MFCD08275676;AKOS015856742;FS-3104;Benzoicacid,3-(2-thiazolyl)-,methyl ester;DB-001857;CS-0187483;A882162

Chemical Property of Methyl 3-thiazol-2-yl-benzoate

Chemical Property:

• Vapor Pressure: 1.33E-05mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 367.8 °C at 760 mmHg
• PKA: 2.00±0.10(Predicted)
• Flash Point: 176.2 °C
• PSA: 67.43000
• Density: 1.25 g/cm³
• LogP: 2.59670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.03539970
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-Thiazol-2-yl-benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1)C2=NC=CS2