Found 1779 results

Search term: MF = 'C_{11}H_{8}N_{2}O_{2}S'
ChemSpider 2D Image | Methyl 3-thiocyanato-1H-indole-6-carboxylate | C11H8N2O2S

Methyl 3-thiocyanato-1H-indole-6-carboxylate

  • Molecular FormulaC11H8N2O2S
  • Average mass232.258 Da
  • Monoisotopic mass232.030655 Da
  • ChemSpider ID22547938

More details:

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

1H-Indole-6-carboxylic acid, 3-thiocyanato-, methyl ester [ACD/Index Name]
3-Thiocyanato-1H-indole-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
885266-73-9 [RN]
Methyl 3-thiocyanato-1H-indole-6-carboxylate [ACD/IUPAC Name]
Methyl-3-thiocyanato-1H-indol-6-carboxylat [German] [ACD/IUPAC Name]
[885266-73-9] [RN]
3-Thiocyanatoindole-6-carboxylic acid methyl ester
METHYL 3-(CYANOSULFANYL)-1H-INDOLE-6-CARBOXYLATE
Methyl3-thiocyanato-1H-indole-6-carboxylate
MFCD04973982 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.5±23.2 °C
Index of Refraction: 1.681
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.08
ACD/KOC (pH 5.5): 548.33
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.08
ACD/KOC (pH 7.4): 548.33
Polar Surface Area: 91 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 163.8±5.0 cm3

Click to predict properties on the Chemicalize site


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