Found 16 results

Search term: MF = 'C_{6}H_{6}FN_{3}O_{4}S'
ChemSpider 2D Image | Fluoro[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]acetic acid | C6H6FN3O4S

Fluoro[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]acetic acid

  • Molecular FormulaC6H6FN3O4S
  • Average mass235.193 Da
  • Monoisotopic mass235.006302 Da
  • ChemSpider ID55829881

More details:

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

Acetic acid, 2-fluoro-2-[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]- [ACD/Index Name]
Acide fluoro[(2-méthyl-5,6-dioxo-1,2,5,6-tétrahydro-1,2,4-triazin-3-yl)sulfanyl]acétique [French] [ACD/IUPAC Name]
Fluor[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Fluoro[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]acetic acid [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 48.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 126.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement