ChemSpider 2D Image | 15-Thia-14,16-diazatetracyclo[10.5.2.2~5,8~.0~13,17~]henicosa-1(18),5,7,12(19),13,16,20-heptaene | C18H18N2S

15-Thia-14,16-diazatetracyclo[10.5.2.25,8.013,17]henicosa-1(18),5,7,12(19),13,16,20-heptaene

  • Molecular FormulaC18H18N2S
  • Average mass294.414 Da
  • Monoisotopic mass294.119080 Da
  • ChemSpider ID30659263

More details:

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

15-Thia-14,16-diazatetracyclo[10.5.2.25,8.013,17]henicosa-1(18),5,7,12(19),13,16,20-heptaen [German] [ACD/IUPAC Name]
15-Thia-14,16-diazatetracyclo[10.5.2.25,8.013,17]henicosa-1(18),5,7,12(19),13,16,20-heptaene [ACD/IUPAC Name]
15-Thia-14,16-diazatétracyclo[10.5.2.25,8.013,17]hénicosa-1(18),5,7,12(19),13,16,20-heptaène [French] [ACD/IUPAC Name]
4,15-Ethanediylidene-8,11-ethenocyclotetradeca[c][1,2,5]thiadiazole, 5,6,7,12,13,14-hexahydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 219.6±16.0 °C
Index of Refraction: 1.642
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8339.03
ACD/KOC (pH 5.5): 22300.97
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8339.11
ACD/KOC (pH 7.4): 22301.19
Polar Surface Area: 54 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 247.1±3.0 cm3

Click to predict properties on the Chemicalize site


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