ChemSpider 2D Image | 3-(1,3-Thiazol-5-yl)-2-propynoic acid | C6H3NO2S

3-(1,3-Thiazol-5-yl)-2-propynoic acid

  • Molecular FormulaC6H3NO2S
  • Average mass153.158 Da
  • Monoisotopic mass152.988449 Da
  • ChemSpider ID56331513

More details:

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

2-Propynoic acid, 3-(5-thiazolyl)- [ACD/Index Name]
3-(1,3-Thiazol-5-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(1,3-Thiazol-5-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(1,3-thiazol-5-yl)-2-propynoïque [French] [ACD/IUPAC Name]
1700234-68-9 [RN]
3-(1,3-thiazol-5-yl)prop-2-ynoic acid
MFCD30198269

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

Density: 1.5±0.1 g/cm3
Boiling Point: 363.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 173.8±22.9 °C
Index of Refraction: 1.643
Molar Refractivity: 36.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 100.2±5.0 cm3

Click to predict properties on the Chemicalize site


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