ChemSpider 2D Image | [2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]acetic acid | C9H11NO2S3

[2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]acetic acid

  • Molecular FormulaC9H11NO2S3
  • Average mass261.384 Da
  • Monoisotopic mass260.995178 Da
  • ChemSpider ID35525872

More details:

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

[2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]acetic acid [ACD/IUPAC Name]
[2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]essigsäure [German] [ACD/IUPAC Name]
4-Thiazoleacetic acid, 2-(1,4-dithian-2-yl)- [ACD/Index Name]
Acide [2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 489.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.9±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 24.32
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 179.7±3.0 cm3

Click to predict properties on the Chemicalize site


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