Cas no 137267-39-1 (5-Thiazolecarboxylic acid, 2-ethyl-4-methyl-, methyl ester)

5-Thiazolecarboxylic acid, 2-ethyl-4-methyl-, methyl ester structure
137267-39-1 structure
Product Name:5-Thiazolecarboxylic acid, 2-ethyl-4-methyl-, methyl ester
CAS No:137267-39-1
MF:C8H11NO2S
MW:185.24344086647
CID:1251504
Update Time:2024-08-04

5-Thiazolecarboxylic acid, 2-ethyl-4-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 2-ethyl-4-methyl-, methyl ester
    • Inchi: 1S/C8H11NO2S/c1-4-6-9-5(2)7(12-6)8(10)11-3/h4H2,1-3H3
    • InChI Key: VUFVEMPOCYUJAG-UHFFFAOYSA-N
    • SMILES: S1C(C(OC)=O)=C(C)N=C1CC

Computed Properties

  • Exact Mass: 185.05113

Experimental Properties

  • Density: 1.164±0.06 g/cm3(Predicted)
  • Boiling Point: 252.7±20.0 °C(Predicted)
  • PSA: 39.19
  • pka: 2.14±0.10(Predicted)
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