ChemSpider 2D Image | N,N-Dimethyl-2-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide | C7H12N4OS

N,N-Dimethyl-2-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide

  • Molecular FormulaC7H12N4OS
  • Average mass200.261 Da
  • Monoisotopic mass200.073181 Da
  • ChemSpider ID23927537

More details:

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

4H-1,2,4-Triazole-4-acetamide, 1,5-dihydro-N,N,3-trimethyl-5-thioxo- [ACD/Index Name]
N,N-Dimethyl-2-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamid [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide [ACD/IUPAC Name]
N,N-Diméthyl-2-(3-méthyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acétamide [French] [ACD/IUPAC Name]
353286-93-8 [RN]
MFCD01833962 [MDL number]
N,N-dimethyl-2-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 387.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.2±28.4 °C
Index of Refraction: 1.632
Molar Refractivity: 53.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 151.1±7.0 cm3

Click to predict properties on the Chemicalize site


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