ChemSpider 2D Image | 1-Adamantyl isothiocyanate | C11H15NS

1-Adamantyl isothiocyanate

  • Molecular FormulaC11H15NS
  • Average mass193.309 Da
  • Monoisotopic mass193.092514 Da
  • ChemSpider ID26500021

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-1-Isothiocyanatoadamantan [German] [ACD/IUPAC Name]
(3s,5s,7s)-1-Isothiocyanatoadamantane [ACD/IUPAC Name]
(3s,5s,7s)-1-Isothiocyanatoadamantane [French] [ACD/IUPAC Name]
1-Adamantyl isothiocyanate
224-564-4 [EINECS]
4411-26-1 [RN]
MFCD00074736 [MDL number]
Tricyclo[3.3.1.13,7]decane, 1-isothiocyanato- [ACD/Index Name]
[4411-26-1] [RN]
1-ADAMANTYLISOTHIOCYANATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 297.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 138.0±26.0 °C
Index of Refraction: 1.722
Molar Refractivity: 56.5±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 562.57
ACD/KOC (pH 5.5): 3237.27
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 562.57
ACD/KOC (pH 7.4): 3237.27
Polar Surface Area: 44 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 142.8±7.0 cm3

Click to predict properties on the Chemicalize site


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