ChemSpider 2D Image | (3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methylbenzylidene)hydrazono]-3,4-dihydro-1H-2,1-benzothiazine 2,2-dioxide | C17H16ClN3O2S

(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methylbenzylidene)hydrazono]-3,4-dihydro-1H-2,1-benzothiazine 2,2-dioxide

  • Molecular FormulaC17H16ClN3O2S
  • Average mass361.846 Da
  • Monoisotopic mass361.065186 Da
  • ChemSpider ID30657412

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,4Z)-3-Chlor-1-methyl-4-[(2E)-(3-methylbenzyliden)hydrazono]-3,4-dihydro-1H-2,1-benzothiazin-2,2-dioxid [German] [ACD/IUPAC Name]
(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methylbenzylidene)hydrazono]-3,4-dihydro-1H-2,1-benzothiazine 2,2-dioxide [ACD/IUPAC Name]
2,2-Dioxyde de (3S,4Z)-3-chloro-1-méthyl-4-[(2E)-(3-méthylbenzylidène)hydrazono]-3,4-dihydro-1H-2,1-benzothiazine [French] [ACD/IUPAC Name]
Benzaldehyde, 3-methyl-, 2-[(3S,4Z)-3-chloro-1-methyl-2,2-dioxido-1H-2,1-benzothiazin-4(3H)-ylidene]hydrazone [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 510.49
ACD/KOC (pH 5.5): 2957.57
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.77
ACD/KOC (pH 7.4): 3179.36
Polar Surface Area: 70 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 268.8±7.0 cm3

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