ChemSpider 2D Image | (7-Chloro-2-oxo-2H-chromen-4-yl)methyl 1-piperidinecarbodithioate | C16H16ClNO2S2

(7-Chloro-2-oxo-2H-chromen-4-yl)methyl 1-piperidinecarbodithioate

  • Molecular FormulaC16H16ClNO2S2
  • Average mass353.887 Da
  • Monoisotopic mass353.031097 Da
  • ChemSpider ID30657528

More details:

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

(7-Chlor-2-oxo-2H-chromen-4-yl)methyl-1-piperidincarbodithioat [German] [ACD/IUPAC Name]
(7-Chloro-2-oxo-2H-chromen-4-yl)methyl 1-piperidinecarbodithioate [ACD/IUPAC Name]
1-Pipéridinecarbodithioate de (7-chloro-2-oxo-2H-chromén-4-yl)méthyle [French] [ACD/IUPAC Name]
1-Piperidinecarbodithioic acid, (7-chloro-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 505.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1317.81
ACD/KOC (pH 5.5): 5953.70
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1317.84
ACD/KOC (pH 7.4): 5953.82
Polar Surface Area: 87 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

Click to predict properties on the Chemicalize site


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