ChemSpider 2D Image | (2Z)-2-(3,5-Dioxo-1-phenyl-4-pyrazolidinylidene)-4-imino-4H-1,3-dithiine-5-carbonitrile | C14H8N4O2S2

(2Z)-2-(3,5-Dioxo-1-phenyl-4-pyrazolidinylidene)-4-imino-4H-1,3-dithiine-5-carbonitrile

  • Molecular FormulaC14H8N4O2S2
  • Average mass328.369 Da
  • Monoisotopic mass328.008881 Da
  • ChemSpider ID22905193

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3,5-Dioxo-1-phenyl-4-pyrazolidinyliden)-4-imino-4H-1,3-dithiin-5-carbonitril [German] [ACD/IUPAC Name]
(2Z)-2-(3,5-Dioxo-1-phenyl-4-pyrazolidinylidene)-4-imino-4H-1,3-dithiine-5-carbonitrile [ACD/IUPAC Name]
(2Z)-2-(3,5-Dioxo-1-phényl-4-pyrazolidinylidène)-4-imino-4H-1,3-dithiine-5-carbonitrile [French] [ACD/IUPAC Name]
4H-1,3-Dithiin-5-carbonitrile, 2-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)-4-imino-, (2Z)- [ACD/Index Name]
2-(3,5-dioxo-1-phenyl(1,2-diazolidin-4-ylidene))-4-imino-1,3-dithiin-5-carbonitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 87.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 72.07
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.34
Polar Surface Area: 148 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 77.7±7.0 dyne/cm
Molar Volume: 205.1±7.0 cm3

Click to predict properties on the Chemicalize site


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