ChemSpider 2D Image | 1H-Thieno[3,2-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide | C5H4N2O3S2

1H-Thieno[3,2-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide

  • Molecular FormulaC5H4N2O3S2
  • Average mass204.227 Da
  • Monoisotopic mass203.966339 Da
  • ChemSpider ID24706436

More details:

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

1H-Thieno[3,2-c][1,2,6]thiadiazin-4(3H)-on-2,2-dioxid [German] [ACD/IUPAC Name]
1H-Thieno[3,2-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide [ACD/IUPAC Name]
1H-Thieno[3,2-c][1,2,6]thiadiazin-4(3H)-one, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de -1H-thiéno[3,2-c][1,2,6]thiadiazin-4(3H)-one [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495523/

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

Density: 2.1±0.1 g/cm3
Boiling Point: 490.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.2±26.5 °C
Index of Refraction: 1.890
Molar Refractivity: 45.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 107.1±7.0 dyne/cm
Molar Volume: 97.5±7.0 cm3

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