ChemSpider 2D Image | N-(3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-benzothiazole-2-carboxamide | C18H14N4O3S3

N-(3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-benzothiazole-2-carboxamide

  • Molecular FormulaC18H14N4O3S3
  • Average mass430.524 Da
  • Monoisotopic mass430.022797 Da
  • ChemSpider ID35314865

More details:

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

2-Benzothiazolecarboxamide, N-[6-(aminosulfonyl)-3-(2-propen-1-yl)-2(3H)-benzothiazolylidene]- [ACD/Index Name]
N-(3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-yliden)-1,3-benzothiazol-2-carboxamid [German] [ACD/IUPAC Name]
N-(3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-benzothiazole-2-carboxamide [ACD/IUPAC Name]
N-(3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidène)-1,3-benzothiazole-2-carboxamide [French] [ACD/IUPAC Name]
865176-17-6 [RN]
N-[(2Z)-3-(prop-2-en-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 706.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.9±35.7 °C
Index of Refraction: 1.777
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.59
ACD/KOC (pH 5.5): 617.54
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.17
ACD/KOC (pH 7.4): 612.93
Polar Surface Area: 168 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 270.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement