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Search term: Nc1nc2nc(S)n(CCO)c2c(=O)[nH]1 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 7-(2-Hydroxyethyl)-8-Mercaptoguanine | C7H9N5O2S


  • Molecular FormulaC7H9N5O2S
  • Average mass227.244 Da
  • Monoisotopic mass227.047699 Da
  • ChemSpider ID35035995

More details:

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

2-Amino-7-(2-hydroxyethyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-7-(2-hydroxyethyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-7-(2-hydroxyéthyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,7-dihydro-7-(2-hydroxyethyl)-8-mercapto- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.927
Molar Refractivity: 53.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 97.3±7.0 dyne/cm
Molar Volume: 113.3±7.0 cm3

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