ChemSpider 2D Image | 6-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-1,2,4-triazine-3,5(2H,4H)-dione | C6H6N6O2S

6-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-1,2,4-triazine-3,5(2H,4H)-dione

  • Molecular FormulaC6H6N6O2S
  • Average mass226.216 Da
  • Monoisotopic mass226.027298 Da
  • ChemSpider ID21849726

More details:

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

1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(5-methyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
1018047-62-5 [RN]
6-[(3-Methyl-1H-1,2,4-triazol-5-yl)sulfanyl]-1,2,4-triazin-3,5(2H,4H)-dion [German] [ACD/IUPAC Name]
6-[(3-Methyl-1H-1,2,4-triazol-5-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione [ACD/IUPAC Name]
6-[(3-Méthyl-1H-1,2,4-triazol-5-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione [French] [ACD/IUPAC Name]
6-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-1,2,4-triazine-3,5(2H,4H)-dione
6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.957
Molar Refractivity: 52.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.97
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 105.5±7.0 dyne/cm
Molar Volume: 108.7±7.0 cm3

Click to predict properties on the Chemicalize site


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