ChemSpider 2D Image | 2-{[(2E)-3,7-Dimethyl-2,6-octadien-4-yl]sulfanyl}-1,3-benzothiazole | C17H21NS2

2-{[(2E)-3,7-Dimethyl-2,6-octadien-4-yl]sulfanyl}-1,3-benzothiazole

  • Molecular FormulaC17H21NS2
  • Average mass303.485 Da
  • Monoisotopic mass303.111542 Da
  • ChemSpider ID57506756

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-3,7-Dimethyl-2,6-octadien-4-yl]sulfanyl}-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-{[(2E)-3,7-Dimethyl-2,6-octadien-4-yl]sulfanyl}-1,3-benzothiazole [ACD/IUPAC Name]
2-{[(2E)-3,7-Diméthyl-2,6-octadién-4-yl]sulfanyl}-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[[4-methyl-1-[(1E)-1-methyl-1-propen-1-yl]-3-penten-1-yl]thio]- [ACD/Index Name]
2-[(3,7-DIMETHYLOCTA-2,6-DIEN-4-YL)SULFANYL]-1,3-BENZOTHIAZOLE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 403.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 197.6±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38977.00
ACD/KOC (pH 5.5): 67248.55
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38977.34
ACD/KOC (pH 7.4): 67249.15
Polar Surface Area: 66 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 271.7±5.0 cm3

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