ChemSpider 2D Image | (2E)-1,3-Benzothiazol-2(3H)-ylidene(2-chloro-4-pyrimidinyl)acetonitrile | C13H7ClN4S

(2E)-1,3-Benzothiazol-2(3H)-ylidene(2-chloro-4-pyrimidinyl)acetonitrile

  • Molecular FormulaC13H7ClN4S
  • Average mass286.740 Da
  • Monoisotopic mass286.007996 Da
  • ChemSpider ID111409881

More details:

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

(2E)-1,3-Benzothiazol-2(3H)-yliden(2-chlor-4-pyrimidinyl)acetonitril [German] [ACD/IUPAC Name]
(2E)-1,3-Benzothiazol-2(3H)-ylidene(2-chloro-4-pyrimidinyl)acetonitrile [ACD/IUPAC Name]
(2E)-1,3-Benzothiazol-2(3H)-ylidène(2-chloro-4-pyrimidinyl)acétonitrile [French] [ACD/IUPAC Name]
4-Pyrimidineacetonitrile, α-2(3H)-benzothiazolylidene-2-chloro-, (αE)- [ACD/Index 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: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.710
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.33
ACD/KOC (pH 5.5): 591.40
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.33
ACD/KOC (pH 7.4): 591.40
Polar Surface Area: 87 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 193.5±3.0 cm3

Click to predict properties on the Chemicalize site


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