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Search term: CMWWYSDXIZEJPA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1Z)-N-(2-Methyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-yl)-3-nitro-2,4-cyclohexadien-1-imine | C16H13N5O2S

(1Z)-N-(2-Methyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-yl)-3-nitro-2,4-cyclohexadien-1-imine

  • Molecular FormulaC16H13N5O2S
  • Average mass339.372 Da
  • Monoisotopic mass339.079010 Da
  • ChemSpider ID26329333

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-N-(2-Methyl-4,5-dihydro[1,3]thiazolo[4,5-h]chinazolin-8-yl)-3-nitro-2,4-cyclohexadien-1-imin [German] [ACD/IUPAC Name]
(1Z)-N-(2-Methyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-yl)-3-nitro-2,4-cyclohexadien-1-imine [ACD/IUPAC Name]
(1Z)-N-(2-Méthyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-yl)-3-nitro-2,4-cyclohexadién-1-imine [French] [ACD/IUPAC Name]
2-methyl-N-[(1Z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-H]quinazolin-8-amine
Thiazolo[4,5-h]quinazolin-8-amine, 4,5-dihydro-2-methyl-N-[(1Z)-3-nitro-2,4-cyclohexadien-1-ylidene]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 598.6±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: 315.8±32.9 °C
Index of Refraction: 1.802
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.43
ACD/KOC (pH 5.5): 429.13
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.43
ACD/KOC (pH 7.4): 429.15
Polar Surface Area: 125 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 213.9±7.0 cm3

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