ChemSpider 2D Image | S-[2-(Dimethylamino)-2-iminoethyl] ethanethioate | C6H12N2OS

S-[2-(Dimethylamino)-2-iminoethyl] ethanethioate

  • Molecular FormulaC6H12N2OS
  • Average mass160.237 Da
  • Monoisotopic mass160.067032 Da
  • ChemSpider ID24196623

More details:

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

779274-62-3 [RN]
Éthanethioate de S-[2-(diméthylamino)-2-iminoéthyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[2-(dimethylamino)-2-iminoethyl] ester [ACD/Index Name]
Ethanethioic acid, S-[2-(dimethylamino)-2-iminoethyl] ester (9CI)
S-[2-(Dimethylamino)-2-iminoethyl] ethanethioate [ACD/IUPAC Name]
S-[2-(Dimethylamino)-2-iminoethyl]-ethanthioat [German] [ACD/IUPAC Name]
ETHANETHIOIC ACID,S-[2-(DIMETHYLAMINO)-2-IMINOETHYL] ESTER
S-(2-(dimethylamino)-2-iminoethyl) 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: 194.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.0±3.0 kJ/mol
Flash Point: 71.3±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 44.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 37.2±7.0 dyne/cm
Molar Volume: 145.7±7.0 cm3

Click to predict properties on the Chemicalize site


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