ChemSpider 2D Image | (2E,5Z)-3-Allyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)imino]-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one | C19H19N5OS2

(2E,5Z)-3-Allyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)imino]-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one

  • Molecular FormulaC19H19N5OS2
  • Average mass397.517 Da
  • Monoisotopic mass397.103088 Da
  • ChemSpider ID68019223
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,5Z)-3-Allyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)imino]-5-(3-methyl-1,3-benzothiazol-2(3H)-yliden)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2E,5Z)-3-Allyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)imino]-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2E,5Z)-3-Allyl-2-[(3,5-diméthyl-1H-pyrazol-4-yl)imino]-5-(3-méthyl-1,3-benzothiazol-2(3H)-ylidène)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)imino]-5-(3-methyl-2(3H)-benzothiazolylidene)-3-(2-propen-1-yl)-, (2E,5Z)- [ACD/Index Name]
ZMQKOKXHQLSXKB-CQMHDPJBSA-N

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 523.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.4±32.9 °C
Index of Refraction: 1.729
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.89
ACD/KOC (pH 5.5): 977.10
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.80
ACD/KOC (pH 7.4): 985.45
Polar Surface Area: 115 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 282.8±7.0 cm3

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