Found 170 results

Search term: MF = 'C_{12}H_{11}IN_{2}OS'
ChemSpider 2D Image | 2-(Allylsulfanyl)-6-iodo-3-methyl-4(3H)-quinazolinone | C12H11IN2OS

2-(Allylsulfanyl)-6-iodo-3-methyl-4(3H)-quinazolinone

  • Molecular FormulaC12H11IN2OS
  • Average mass358.198 Da
  • Monoisotopic mass357.963654 Da
  • ChemSpider ID21586330

More details:

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

2-(Allylsulfanyl)-6-iod-3-methyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-(Allylsulfanyl)-6-iodo-3-methyl-4(3H)-quinazolinone [ACD/IUPAC Name]
2-(Allylsulfanyl)-6-iodo-3-méthyl-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 6-iodo-3-methyl-2-(2-propen-1-ylthio)- [ACD/Index Name]
2-Allylsulfanyl-6-iodo-3-methyl-3H-quinazolin-4-one
6-iodo-3-methyl-2-(prop-2-en-1-ylsulfanyl)quinazolin-4(3H)-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 442.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.5±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 130.08
ACD/KOC (pH 5.5): 1134.93
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 130.08
ACD/KOC (pH 7.4): 1134.93
Polar Surface Area: 58 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 212.0±7.0 cm3

Click to predict properties on the Chemicalize site


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