ChemSpider 2D Image | 5-{[(5-Cyano-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]methyl}-2-thiophenesulfonamide | C12H13N5O4S2

5-{[(5-Cyano-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]methyl}-2-thiophenesulfonamide

  • Molecular FormulaC12H13N5O4S2
  • Average mass355.393 Da
  • Monoisotopic mass355.040894 Da
  • ChemSpider ID21721973

More details:

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

2-Thiophenesulfonamide, 5-[[(5-cyano-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]methyl]- [ACD/Index Name]
5-{[(5-Cyan-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]methyl}-2-thiophensulfonamid [German] [ACD/IUPAC Name]
5-{[(5-Cyano-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]methyl}-2-thiophenesulfonamide [ACD/IUPAC Name]
5-{[(5-Cyano-1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)amino]méthyl}-2-thiophènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.6±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.70
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.66
Polar Surface Area: 173 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 90.1±5.0 dyne/cm
Molar Volume: 216.8±5.0 cm3

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