ChemSpider 2D Image | Methyl 5-chloro-4-{[(2,6-diamino-9H-purin-8-yl)sulfanyl]methyl}-2-thiophenecarboxylate | C12H11ClN6O2S2

Methyl 5-chloro-4-{[(2,6-diamino-9H-purin-8-yl)sulfanyl]methyl}-2-thiophenecarboxylate

  • Molecular FormulaC12H11ClN6O2S2
  • Average mass370.838 Da
  • Monoisotopic mass370.007355 Da
  • ChemSpider ID128670997

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-4-[[(2,6-diamino-9H-purin-8-yl)thio]methyl]-, methyl ester [ACD/Index Name]
5-Chloro-4-{[(2,6-diamino-9H-purin-8-yl)sulfanyl]méthyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-4-{[(2,6-diamino-9H-purin-8-yl)sulfanyl]methyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-chlor-4-{[(2,6-diamino-9H-purin-8-yl)sulfanyl]methyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.778
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 85.29
ACD/KOC (pH 5.5): 780.75
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.30
ACD/KOC (pH 7.4): 973.08
Polar Surface Area: 186 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 114.1±5.0 dyne/cm
Molar Volume: 215.6±5.0 cm3

Click to predict properties on the Chemicalize site


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