ChemSpider 2D Image | 5-(9H-Purin-6-ylsulfanyl)-1,3-benzothiazol-4-amine | C12H8N6S2

5-(9H-Purin-6-ylsulfanyl)-1,3-benzothiazol-4-amine

  • Molecular FormulaC12H8N6S2
  • Average mass300.362 Da
  • Monoisotopic mass300.025177 Da
  • ChemSpider ID39905557

More details:

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

4-Benzothiazolamine, 5-(9H-purin-6-ylthio)- [ACD/Index Name]
5-(9H-Purin-6-ylsulfanyl)-1,3-benzothiazol-4-amin [German] [ACD/IUPAC Name]
5-(9H-Purin-6-ylsulfanyl)-1,3-benzothiazol-4-amine [ACD/IUPAC Name]
5-(9H-Purin-6-ylsulfanyl)-1,3-benzothiazol-4-amine [French] [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: 1.891
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 106.25
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.48
ACD/KOC (pH 7.4): 100.04
Polar Surface Area: 147 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 130.4±5.0 dyne/cm
Molar Volume: 176.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement