Found 1 result

Search term: UVGRVNQLRMADLE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-[(2-Chloro-6-fluorobenzyl)sulfanyl]-9-methyl-1,9-dihydro-6H-purin-6-one | C13H10ClFN4OS

8-[(2-Chloro-6-fluorobenzyl)sulfanyl]-9-methyl-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC13H10ClFN4OS
  • Average mass324.761 Da
  • Monoisotopic mass324.024780 Da
  • ChemSpider ID21681923

More details:

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

6H-Purin-6-one, 8-[[(2-chloro-6-fluorophenyl)methyl]thio]-1,9-dihydro-9-methyl- [ACD/Index Name]
8-[(2-Chlor-6-fluorbenzyl)sulfanyl]-9-methyl-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
8-[(2-Chloro-6-fluorobenzyl)sulfanyl]-9-methyl-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
8-[(2-Chloro-6-fluorobenzyl)sulfanyl]-9-méthyl-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
8-(2-Chloro-6-fluoro-benzylsulfanyl)-9-methyl-1,9-dihydro-purin-6-one
8-[(2-chloro-6-fluorobenzyl)thio]-9-methyl-1,9-dihydro-6H-purin-6-one
8-[(6-chloro-2-fluorophenyl)methylthio]-9-methylhydropurin-6-one
8-{[(2-CHLORO-6-FLUOROPHENYL)METHYL]SULFANYL}-9-METHYL-1H-PURIN-6-ONE
MFCD09788399

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: 1.721
Molar Refractivity: 80.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.11
ACD/KOC (pH 5.5): 548.38
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.99
ACD/KOC (pH 7.4): 500.37
Polar Surface Area: 85 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 204.4±7.0 cm3

Click to predict properties on the Chemicalize site


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