ChemSpider 2D Image | Methyl N-cyano-4-ethyl-1-piperazinecarbimidothioate | C9H16N4S

Methyl N-cyano-4-ethyl-1-piperazinecarbimidothioate

  • Molecular FormulaC9H16N4S
  • Average mass212.315 Da
  • Monoisotopic mass212.109573 Da
  • ChemSpider ID29372794
  • Double-bond stereo - Double-bond stereo


More details:






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

1-Piperazinecarboximidothioic acid, N-cyano-4-ethyl-, methyl ester [ACD/Index Name]
Methyl N-cyano-4-ethyl-1-piperazinecarbimidothioate [ACD/IUPAC Name]
Methyl-N-cyan-4-ethyl-1-piperazincarbimidothioat [German] [ACD/IUPAC Name]
N-Cyano-4-éthyl-1-pipérazinecarbimidothioate de méthyle [French] [ACD/IUPAC Name]
(E)-methyl N-cyano-4-ethylpiperazine-1-carbimidothioate
1428143-44-5 [RN]
methyl (1E)-N-cyano-4-ethyl-piperazine-1-carboximidothioate
methyl N-cyano-4-ethylpiperazine-1-carbimidothioate
MFCD23915288 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 308.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.5±30.7 °C
Index of Refraction: 1.583
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 52.08
Polar Surface Area: 68 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 184.8±7.0 cm3

Click to predict properties on the Chemicalize site






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