ChemSpider 2D Image | Methyl 4-(1,1-dimethylethyl)-2-methyl-5-thiazolecarboxylate | C10H15NO2S

Methyl 4-(1,1-dimethylethyl)-2-methyl-5-thiazolecarboxylate

  • Molecular FormulaC10H15NO2S
  • Average mass213.297 Da
  • Monoisotopic mass213.082352 Da
  • ChemSpider ID28293719

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1072944-46-7 [RN]
2-Méthyl-4-(2-méthyl-2-propanyl)-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-(1,1-dimethylethyl)-2-methyl-, methyl ester [ACD/Index Name]
Methyl 2-methyl-4-(2-methyl-2-propanyl)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl 4-(1,1-dimethylethyl)-2-methyl-5-thiazolecarboxylate
Methyl-2-methyl-4-(2-methyl-2-propanyl)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
[1072944-46-7]
'1072944-46-7
aminothioxoacetic acid ethyl ester
Ethyl thiooxamate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-26092]
    • Safety:

      20/21/22 Novochemy [NC-26092]
      20/21/36/37/39 Novochemy [NC-26092]
      GHS07; GHS09 Novochemy [NC-26092]
      H332; H403 Novochemy [NC-26092]
      P301+P310; P337+P313 Novochemy [NC-26092]
      Warning Novochemy [NC-26092]
      Xn Novochemy [NC-26092]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 295.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 132.7±24.0 °C
Index of Refraction: 1.510
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.99
ACD/KOC (pH 5.5): 786.72
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.04
ACD/KOC (pH 7.4): 787.31
Polar Surface Area: 67 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site






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