ChemSpider 2D Image | 2-[(1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)sulfanyl]-N-propylacetamide | C12H17N5O3S

2-[(1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)sulfanyl]-N-propylacetamide

  • Molecular FormulaC12H17N5O3S
  • Average mass311.360 Da
  • Monoisotopic mass311.105194 Da
  • ChemSpider ID28537817

More details:

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

2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-propylacetamid [German] [ACD/IUPAC Name]
2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-propylacetamide [ACD/IUPAC Name]
2-[(1,3-Diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)sulfanyl]-N-propylacétamide [French] [ACD/IUPAC Name]
2-[(1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)sulfanyl]-N-propylacetamide
Acetamide, N-propyl-2-[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]- [ACD/Index Name]
2-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-ylsulfanyl)-N-propyl-acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 69.93
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.80
Polar Surface Area: 124 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site


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