ChemSpider 2D Image | (2E)-2-(1,3-Benzoxazol-2-yl)-3-(2,2'-bithiophen-5-yl)acrylonitrile | C18H10N2OS2

(2E)-2-(1,3-Benzoxazol-2-yl)-3-(2,2'-bithiophen-5-yl)acrylonitrile

  • Molecular FormulaC18H10N2OS2
  • Average mass334.415 Da
  • Monoisotopic mass334.023468 Da
  • ChemSpider ID28491232

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(1,3-Benzoxazol-2-yl)-3-(2,2'-bithiophen-5-yl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-2-(1,3-Benzoxazol-2-yl)-3-(2,2'-bithiophen-5-yl)acrylonitrile [ACD/IUPAC Name]
(2E)-2-(1,3-Benzoxazol-2-yl)-3-(2,2'-bithiophén-5-yl)acrylonitrile [French] [ACD/IUPAC Name]
2-Benzoxazoleacetonitrile, α-([2,2'-bithiophen]-5-ylmethylene)-, (αE)- [ACD/Index 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: 534.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.3±32.9 °C
Index of Refraction: 1.735
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3233.91
ACD/KOC (pH 5.5): 11320.26
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3233.95
ACD/KOC (pH 7.4): 11320.38
Polar Surface Area: 106 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

Click to predict properties on the Chemicalize site


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