ChemSpider 2D Image | 6-(3-Aminobenzyl)-4-methyl-2-(methylsulfinyl)-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one | C17H16N4O2S2

6-(3-Aminobenzyl)-4-methyl-2-(methylsulfinyl)-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one

  • Molecular FormulaC17H16N4O2S2
  • Average mass372.465 Da
  • Monoisotopic mass372.071472 Da
  • ChemSpider ID24675376

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

5H-Thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, 6-[(3-aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)- [ACD/Index Name]
6-(3-Aminobenzyl)-4-methyl-2-(methylsulfinyl)-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-on [German] [ACD/IUPAC Name]
6-(3-Aminobenzyl)-4-methyl-2-(methylsulfinyl)-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one [ACD/IUPAC Name]
6-(3-Aminobenzyl)-4-méthyl-2-(méthylsulfinyl)-4,6-dihydro-5H-thiéno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one [French] [ACD/IUPAC Name]
1221186-53-3 [RN]
2-methylsulfinyl-4-methyl-6-[(3-aminophenyl)methyl]-4H-thieno[3,2-b]pyrrole[3,2-d]pyridazinone
6-(3-Aminobenzyl)-4-methyl-2-(methylsulfinyl)-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5(6H)-one
6-[(3-Aminophenyl)methyl]-2-(methanesulfinyl)-4-methyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
6-[(3-aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5H-Thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-on
6-[(3-aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 711.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.2±35.7 °C
Index of Refraction: 1.805
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.94
ACD/KOC (pH 5.5): 280.81
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.11
ACD/KOC (pH 7.4): 298.25
Polar Surface Area: 128 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 234.4±7.0 cm3

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