ChemSpider 2D Image | MFCD11045090 | C15H27NS3

MFCD11045090

  • Molecular FormulaC15H27NS3
  • Average mass317.577 Da
  • Monoisotopic mass317.130554 Da
  • ChemSpider ID22516324

More details:

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

796045-97-1 [RN]
Carbonotrithioate de cyanométhyle et de dodécyle [French] [ACD/IUPAC Name]
Carbonotrithioic acid, cyanomethyl dodecyl ester [ACD/Index Name]
Cyanmethyl-dodecylcarbonotrithioat [German] [ACD/IUPAC Name]
Cyanomethyl dodecyl carbonotrithioate [ACD/IUPAC Name]
Cyanomethyl dodecyl trithiocarbonate
MFCD11045090
2-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}ACETONITRILE
2-dodecylsulfanylcarbothioylsulfanylacetonitrile

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.3±22.9 °C
Index of Refraction: 1.539
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 168818.25
ACD/KOC (pH 5.5): 192027.47
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 168818.25
ACD/KOC (pH 7.4): 192027.47
Polar Surface Area: 106 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

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