ChemSpider 2D Image | (2Z)-2-Cyano-3-hydroxy-N-methyl-3-(methylamino)-2-propenethioamide | C6H9N3OS

(2Z)-2-Cyano-3-hydroxy-N-methyl-3-(methylamino)-2-propenethioamide

  • Molecular FormulaC6H9N3OS
  • Average mass171.220 Da
  • Monoisotopic mass171.046631 Da
  • ChemSpider ID30651705

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-3-hydroxy-N-methyl-3-(methylamino)-2-propenthioamid [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-3-hydroxy-N-methyl-3-(methylamino)-2-propenethioamide [ACD/IUPAC Name]
(2Z)-2-Cyano-3-hydroxy-N-méthyl-3-(méthylamino)-2-propènethioamide [French] [ACD/IUPAC Name]
2-Propenethioamide, 2-cyano-3-hydroxy-N-methyl-3-(methylamino)-, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 341.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.7±6.0 kJ/mol
Flash Point: 160.2±30.7 °C
Index of Refraction: 1.593
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.63
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.20
Polar Surface Area: 100 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 134.3±3.0 cm3

Click to predict properties on the Chemicalize site


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