ChemSpider 2D Image | 2-{[(2-Chloro-1,3-thiazol-5-yl)methyl]sulfanyl}-1H-indole | C12H9ClN2S2

2-{[(2-Chloro-1,3-thiazol-5-yl)methyl]sulfanyl}-1H-indole

  • Molecular FormulaC12H9ClN2S2
  • Average mass280.796 Da
  • Monoisotopic mass279.989563 Da
  • ChemSpider ID35625793

More details:

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

1H-Indole, 2-[[(2-chloro-5-thiazolyl)methyl]thio]- [ACD/Index Name]
2-{[(2-Chlor-1,3-thiazol-5-yl)methyl]sulfanyl}-1H-indol [German] [ACD/IUPAC Name]
2-{[(2-Chloro-1,3-thiazol-5-yl)methyl]sulfanyl}-1H-indole [ACD/IUPAC Name]
2-{[(2-Chloro-1,3-thiazol-5-yl)méthyl]sulfanyl}-1H-indole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 263.3±32.9 °C
Index of Refraction: 1.745
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.27
ACD/KOC (pH 5.5): 2177.47
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.28
ACD/KOC (pH 7.4): 2177.51
Polar Surface Area: 82 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 188.4±5.0 cm3

Click to predict properties on the Chemicalize site


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