Found 4 results

Search term: RCSLUNOLLUVOOG-FPCLSXBCDT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9-Chloro-5-methyl-6-(3-methyl-2-buten-1-yl)-2-thioxo-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazepin-6-ium | C16H21ClN3S

9-Chloro-5-methyl-6-(3-methyl-2-buten-1-yl)-2-thioxo-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazepin-6-ium

  • Molecular FormulaC16H21ClN3S
  • Average mass322.875 Da
  • Monoisotopic mass322.113922 Da
  • ChemSpider ID21201629

  • Charge - Charge

More details:

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

9-Chlor-5-methyl-6-(3-methyl-2-buten-1-yl)-2-thioxo-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazepin-6-ium [German] [ACD/IUPAC Name]
9-Chloro-5-methyl-6-(3-methyl-2-buten-1-yl)-2-thioxo-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazepin-6-ium [ACD/IUPAC Name]
9-Chloro-5-méthyl-6-(3-méthyl-2-butén-1-yl)-2-thioxo-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazépin-6-ium [French] [ACD/IUPAC Name]
Imidazo[4,5,1-jk][1,4]benzodiazepinium, 9-chloro-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-2-thioxo- [ACD/Index Name]

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

Density:
Boiling Point: 429.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 174.64
ACD/KOC (pH 5.5): 943.46
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 676.40
ACD/KOC (pH 7.4): 3654.08
Polar Surface Area: 52 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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