ChemSpider 2D Image | 2-({7-[(2Z)-2-Buten-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide | C12H15N5O3S

2-({7-[(2Z)-2-Buten-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide

  • Molecular FormulaC12H15N5O3S
  • Average mass309.344 Da
  • Monoisotopic mass309.089569 Da
  • ChemSpider ID21211736

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({7-[(2Z)-2-Buten-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
2-({7-[(2Z)-2-Buten-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide [ACD/IUPAC Name]
2-({7-[(2Z)-2-Butén-1-yl]-3-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[7-[(2Z)-2-buten-1-yl]-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-8-yl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.53
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.19
Polar Surface Area: 136 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 201.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement