ChemSpider 2D Image | Sulfurol propionate | C9H13NO2S

Sulfurol propionate

  • Molecular FormulaC9H13NO2S
  • Average mass199.270 Da
  • Monoisotopic mass199.066696 Da
  • ChemSpider ID21105956

More details:






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

2-(4-Methyl-1,3-thiazol-5-yl)ethyl propionate [ACD/IUPAC Name]
2-(4-Methyl-1,3-thiazol-5-yl)ethylpropionat [German] [ACD/IUPAC Name]
2-(4-Methyl-5-thiazolyl)ethyl propionate
324742-96-3 [RN]
5-Thiazoleethanol, 4-methyl-, propanoate (ester) [ACD/Index Name]
Propionate de 2-(4-méthyl-1,3-thiazol-5-yl)éthyle [French] [ACD/IUPAC Name]
Sulfurol propionate
1-(4-methyl-thiazol-5-yl)-2-propionyloxy-ethane
2-(4-methyl-1,3-thiazol-5-yl)ethyl propanoate
2-(4-Methylthiazol-5-yl)ethyl propionate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9C20571O7V [DBID]
UNII:9C20571O7V [DBID]
UNII-9C20571O7V [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 291.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 129.9±23.2 °C
Index of Refraction: 1.518
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.91
ACD/KOC (pH 5.5): 263.06
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.98
ACD/KOC (pH 7.4): 264.27
Polar Surface Area: 67 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 174.2±3.0 cm3

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