ChemSpider 2D Image | 3-[2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]propanoic acid | C10H13NO2S3

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

  • Molecular FormulaC10H13NO2S3
  • Average mass275.411 Da
  • Monoisotopic mass275.010834 Da
  • ChemSpider ID52710033

More details:

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

3-[2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]propanoic acid [ACD/IUPAC Name]
3-[2-(1,4-Dithian-2-yl)-1,3-thiazol-4-yl]propansäure [German] [ACD/IUPAC Name]
4-Thiazolepropanoic acid, 2-(1,4-dithian-2-yl)- [ACD/Index Name]
Acide 3-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 493.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.4±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 25.74
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 196.2±3.0 cm3

Click to predict properties on the Chemicalize site


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