ChemSpider 2D Image | (2E)-N-Butyl-7,8-dimethyl-3-(2-thienylmethyl)-3,4-dihydro-2H-[1,3]thiazino[6,5-b]quinolin-2-imine | C22H25N3S2

(2E)-N-Butyl-7,8-dimethyl-3-(2-thienylmethyl)-3,4-dihydro-2H-[1,3]thiazino[6,5-b]quinolin-2-imine

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID17900121

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-Butyl-7,8-dimethyl-3-(2-thienylmethyl)-3,4-dihydro-2H-[1,3]thiazino[6,5-b]chinolin-2-imin [German] [ACD/IUPAC Name]
(2E)-N-Butyl-7,8-diméthyl-3-(2-thiénylméthyl)-3,4-dihydro-2H-[1,3]thiazino[6,5-b]quinoléin-2-imine [French] [ACD/IUPAC Name]
(2E)-N-Butyl-7,8-dimethyl-3-(2-thienylmethyl)-3,4-dihydro-2H-[1,3]thiazino[6,5-b]quinolin-2-imine [ACD/IUPAC Name]
1-Butanamine, N-[(2E)-3,4-dihydro-7,8-dimethyl-3-(2-thienylmethyl)-2H-1,3-thiazino[6,5-b]quinolin-2-ylidene]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9424.66
ACD/KOC (pH 5.5): 24280.96
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9508.21
ACD/KOC (pH 7.4): 24496.22
Polar Surface Area: 82 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 319.2±7.0 cm3

Click to predict properties on the Chemicalize site


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