Found 19 results

Search term: MF = 'C_{16}H_{17}NO_{2}S_{3}'
ChemSpider 2D Image | 6-Ethoxy-5-(1-hydroxyvinyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione | C16H17NO2S3

6-Ethoxy-5-(1-hydroxyvinyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

  • Molecular FormulaC16H17NO2S3
  • Average mass351.507 Da
  • Monoisotopic mass351.042145 Da
  • ChemSpider ID95621446

More details:

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

1H-[1,2]Dithiolo[3,4-c]quinoline-1-thione, 6-ethoxy-4,5-dihydro-5-(1-hydroxyethenyl)-4,4-dimethyl- [ACD/Index Name]
6-Ethoxy-5-(1-hydroxyvinyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]chinolin-1-thion [German] [ACD/IUPAC Name]
6-Éthoxy-5-(1-hydroxyvinyl)-4,4-diméthyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoléine-1-thione [French] [ACD/IUPAC Name]
6-Ethoxy-5-(1-hydroxyvinyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.8±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1206.35
ACD/KOC (pH 5.5): 5588.58
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1192.93
ACD/KOC (pH 7.4): 5526.41
Polar Surface Area: 115 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 247.3±5.0 cm3

Click to predict properties on the Chemicalize site


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