ChemSpider 2D Image | S-[1-(2,2-Dimethylpropanethioyl)-3-azetidinyl] ethanethioate | C10H17NOS2

S-[1-(2,2-Dimethylpropanethioyl)-3-azetidinyl] ethanethioate

  • Molecular FormulaC10H17NOS2
  • Average mass231.378 Da
  • Monoisotopic mass231.075150 Da
  • ChemSpider ID24219323

More details:

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

Éthanethioate de S-[1-(2,2-diméthylpropanethioyl)-3-azétidinyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[1-(2,2-dimethyl-1-thioxopropyl)-3-azetidinyl] ester [ACD/Index Name]
S-[1-(2,2-Dimethylpropanethioyl)-3-azetidinyl] ethanethioate [ACD/IUPAC Name]
S-[1-(2,2-Dimethylpropanethioyl)-3-azetidinyl]-ethanthioat [German] [ACD/IUPAC Name]
886590-72-3 [RN]
ETHANETHIOIC ACID S-[1-(2,2-DIMETHYL-1-THIOXOPROPYL)-3-AZETIDINYL] ESTER
S-(1-(2,2-dimethylpropanethioyl)azetidin-3-yl) ethanethioate
S-[1-(2,2-Dimethylpropanethioyl)azetidin-3-yl] ethanethioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 312.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 142.9±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.16
ACD/KOC (pH 5.5): 195.66
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.16
ACD/KOC (pH 7.4): 195.66
Polar Surface Area: 78 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 199.3±5.0 cm3

Click to predict properties on the Chemicalize site


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