ChemSpider 2D Image | S-[5-(Dimethylamino)-5-thioxopentyl] ethanethioate | C9H17NOS2

S-[5-(Dimethylamino)-5-thioxopentyl] ethanethioate

  • Molecular FormulaC9H17NOS2
  • Average mass219.367 Da
  • Monoisotopic mass219.075150 Da
  • ChemSpider ID24219199

More details:

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

Éthanethioate de S-[5-(diméthylamino)-5-thioxopentyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[5-(dimethylamino)-5-thioxopentyl] ester [ACD/Index Name]
S-[5-(Dimethylamino)-5-thioxopentyl] ethanethioate [ACD/IUPAC Name]
S-[5-(Dimethylamino)-5-thioxopentyl]-ethanthioat [German] [ACD/IUPAC Name]
63881-65-2 [RN]
ETHANETHIOIC ACID S-[5-(DIMETHYLAMINO)-5-THIOXOPENTYL] ESTER
S-(5-(dimethylamino)-5-thioxopentyl) ethanethioate
S-[5-(Dimethylamino)-5-sulfanylidenepentyl] ethanethioate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 298.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.4±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.39
ACD/KOC (pH 5.5): 198.57
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.39
ACD/KOC (pH 7.4): 198.60
Polar Surface Area: 78 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 200.4±3.0 cm3

Click to predict properties on the Chemicalize site


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