Found 44 results

Search term: MF = 'C_{20}H_{12}N_{2}S_{2}'
ChemSpider 2D Image | (2E)-3-(1-Benzothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile | C20H12N2S2

(2E)-3-(1-Benzothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile

  • Molecular FormulaC20H12N2S2
  • Average mass344.453 Da
  • Monoisotopic mass344.044189 Da
  • ChemSpider ID65239006

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(1-Benzothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(1-Benzothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(1-Benzothiophén-3-yl)-2-(4-phényl-1,3-thiazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, α-(benzo[b]thien-3-ylmethylene)-4-phenyl-, (αE)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±32.9 °C
Index of Refraction: 1.743
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9668.74
ACD/KOC (pH 5.5): 24792.13
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9669.02
ACD/KOC (pH 7.4): 24792.86
Polar Surface Area: 93 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

Click to predict properties on the Chemicalize site


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