ChemSpider 2D Image | 2-Amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one | C14H13N5O2S

2-Amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one

  • Molecular FormulaC14H13N5O2S
  • Average mass315.350 Da
  • Monoisotopic mass315.079010 Da
  • ChemSpider ID34236525

More details:

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

2-Amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-{[2-(3-méthylphényl)-2-oxoéthyl]sulfanyl}-1,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2-Amino-8-{[2-(3-Methylphenyl)-2-Oxoethyl]sulfanyl}-1,9-Dihydro-6h-Purin-6-One
6H-Purin-6-one, 2-amino-1,7-dihydro-8-[[2-(3-methylphenyl)-2-oxoethyl]thio]- [ACD/Index Name]
YH3

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.787
Molar Refractivity: 82.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.99
ACD/KOC (pH 5.5): 230.01
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.93
ACD/KOC (pH 7.4): 229.07
Polar Surface Area: 139 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 71.1±7.0 dyne/cm
Molar Volume: 196.3±7.0 cm3

Click to predict properties on the Chemicalize site


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