ChemSpider 2D Image | 1,3-Benzothiazol-2(3H)-ylidenemalonaldehyde | C10H7NO2S

1,3-Benzothiazol-2(3H)-ylidenemalonaldehyde

  • Molecular FormulaC10H7NO2S
  • Average mass205.233 Da
  • Monoisotopic mass205.019745 Da
  • ChemSpider ID30656941

More details:

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

1,3-Benzothiazol-2(3H)-ylidenemalonaldehyde [ACD/IUPAC Name]
1,3-Benzothiazol-2(3H)-ylidènemalonaldéhyde [French] [ACD/IUPAC Name]
1,3-Benzothiazol-2(3H)-ylidenmalonaldehyd [German] [ACD/IUPAC Name]
Propanedial, 2-(2(3H)-benzothiazolylidene)- [ACD/Index Name]
1346414-23-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 347.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 163.9±27.9 °C
Index of Refraction: 1.645
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 50.78
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 50.78
Polar Surface Area: 71 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 150.6±3.0 cm3

Click to predict properties on the Chemicalize site


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