ChemSpider 2D Image | (1Z)-3-Ethyl-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanethione | C16H21NS2

(1Z)-3-Ethyl-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanethione

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID30848520

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-3-Ethyl-1-(3-ethyl-1,3-benzothiazol-2(3H)-yliden)-2-pentanthion [German] [ACD/IUPAC Name]
(1Z)-3-Ethyl-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanethione [ACD/IUPAC Name]
(1Z)-3-Éthyl-1-(3-éthyl-1,3-benzothiazol-2(3H)-ylidène)-2-pentanethione [French] [ACD/IUPAC Name]
2-Pentanethione, 3-ethyl-1-(3-ethyl-2(3H)-benzothiazolylidene)-, (1Z)- [ACD/Index Name]
(1Z)-3-ethyl-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)pentane-2-thione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 176.5±30.7 °C
Index of Refraction: 1.648
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 970.41
ACD/KOC (pH 5.5): 4782.58
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 970.41
ACD/KOC (pH 7.4): 4782.58
Polar Surface Area: 61 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

Click to predict properties on the Chemicalize site


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