ChemSpider 2D Image | Methyl (1Z)-2-(dimethylamino)-N-({[(E)-4H-imidazol-4-ylidenemethyl](methyl)carbamoyl}oxy)-2-oxoethanimidothioate | C11H15N5O3S

Methyl (1Z)-2-(dimethylamino)-N-({[(E)-4H-imidazol-4-ylidenemethyl](methyl)carbamoyl}oxy)-2-oxoethanimidothioate

  • Molecular FormulaC11H15N5O3S
  • Average mass297.333 Da
  • Monoisotopic mass297.089569 Da
  • ChemSpider ID24784310
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-2-(Diméthylamino)-N-({[(E)-4H-imidazol-4-ylidèneméthyl](méthyl)carbamoyl}oxy)-2-oxoéthanimidothioate de méthyle [French] [ACD/IUPAC Name]
Ethanimidothioic acid, 2-(dimethylamino)-N-[[[[(E)-4H-imidazol-4-ylidenemethyl]methylamino]carbonyl]oxy]-2-oxo-, methyl ester, (1Z)- [ACD/Index Name]
Methyl (1Z)-2-(dimethylamino)-N-({[(E)-4H-imidazol-4-ylidenemethyl](methyl)carbamoyl}oxy)-2-oxoethanimidothioate [ACD/IUPAC Name]
Methyl-(1Z)-2-(dimethylamino)-N-({[(E)-4H-imidazol-4-ylidenmethyl](methyl)carbamoyl}oxy)-2-oxoethanimidothioat [German] [ACD/IUPAC Name]
(Z)-methyl N-(((E)-(4H-imidazol-4-ylidene)methyl)(methyl)carbamoyl)oxy-2-(dimethylamino)-2-oxoethanimidothioate
1287394-12-0 [RN]
C11H15N5O3S
methyl (1Z)-2-(dimethylamino)-N-[[(E)-imidazol-4-ylidenemethyl]-methylcarbamoyl]oxy-2-oxoethanimidothioate
MFCD30177416

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

Density: 1.3±0.1 g/cm3
Boiling Point: 379.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.4±30.7 °C
Index of Refraction: 1.596
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.12
Polar Surface Area: 112 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 229.1±7.0 cm3

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