ChemSpider 2D Image | 3-METHANESULFONYL-5-METHYL-1,2,4-TRIAZINE | C5H7N3O2S

3-METHANESULFONYL-5-METHYL-1,2,4-TRIAZINE

  • Molecular FormulaC5H7N3O2S
  • Average mass173.193 Da
  • Monoisotopic mass173.025894 Da
  • ChemSpider ID24784645

More details:

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

1,2,4-Triazine, 5-methyl-3-(methylsulfonyl)- [ACD/Index Name]
3-METHANESULFONYL-5-METHYL-1,2,4-TRIAZINE
5-Methyl-3-(methylsulfonyl)-1,2,4-triazin [German] [ACD/IUPAC Name]
5-Methyl-3-(methylsulfonyl)-1,2,4-triazine [ACD/IUPAC Name]
5-Méthyl-3-(méthylsulfonyl)-1,2,4-triazine [French] [ACD/IUPAC Name]
945915-48-0 [RN]
[945915-48-0] [RN]
3-(Methanesulfonyl)-5-methyl-1,2,4-triazine
5-methyl-3-methylsulfonyl-1,2,4-triazine
MFCD18325192 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 176.2±25.9 °C
Index of Refraction: 1.513
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.87
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.87
Polar Surface Area: 81 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 127.2±3.0 cm3

Click to predict properties on the Chemicalize site


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