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Search term: LTHMQGSQBRUALJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Ethyl-5,6-dimethyl-4,5-dihydro-1,2,4-triazine-3(2H)-thione | C7H13N3S

5-Ethyl-5,6-dimethyl-4,5-dihydro-1,2,4-triazine-3(2H)-thione

  • Molecular FormulaC7H13N3S
  • Average mass171.263 Da
  • Monoisotopic mass171.083023 Da
  • ChemSpider ID21490455

More details:

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

1,2,4-Triazine-3(2H)-thione, 5-ethyl-4,5-dihydro-5,6-dimethyl- [ACD/Index Name]
5-Ethyl-5,6-dimethyl-4,5-dihydro-1,2,4-triazin-3(2H)-thion [German] [ACD/IUPAC Name]
5-Ethyl-5,6-dimethyl-4,5-dihydro-1,2,4-triazine-3(2H)-thione [ACD/IUPAC Name]
5-Éthyl-5,6-diméthyl-4,5-dihydro-1,2,4-triazine-3(2H)-thione [French] [ACD/IUPAC Name]
1174661-73-4 [RN]
MFCD24614244

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

Density: 1.2±0.1 g/cm3
Boiling Point: 220.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 86.8±22.6 °C
Index of Refraction: 1.601
Molar Refractivity: 48.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.76
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.80
Polar Surface Area: 69 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 142.2±7.0 cm3

Click to predict properties on the Chemicalize site


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