ChemSpider 2D Image | S-Butyl diethylcarbamothioate | C9H19NOS

S-Butyl diethylcarbamothioate

  • Molecular FormulaC9H19NOS
  • Average mass189.318 Da
  • Monoisotopic mass189.118729 Da
  • ChemSpider ID21417103

More details:

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

Carbamothioic acid, N,N-diethyl-, S-butyl ester [ACD/Index Name]
Diéthylcarbamothioate de S-butyle [French] [ACD/IUPAC Name]
Diethyl-thiocarbamic acid S-butyl ester
S-Butyl diethylcarbamothioate [ACD/IUPAC Name]
S-Butyl-diethylcarbamothioat [German] [ACD/IUPAC Name]
91852-97-0 [RN]
MFCD09031055 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 254.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 107.7±22.6 °C
Index of Refraction: 1.480
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.45
ACD/KOC (pH 5.5): 1289.26
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.45
ACD/KOC (pH 7.4): 1289.26
Polar Surface Area: 46 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 195.4±3.0 cm3

Click to predict properties on the Chemicalize site


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