ChemSpider 2D Image | 3-(1,3-Benzothiazol-2-yl)-N-{5-[(2-thienylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide | C17H14N4OS4

3-(1,3-Benzothiazol-2-yl)-N-{5-[(2-thienylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide

  • Molecular FormulaC17H14N4OS4
  • Average mass418.579 Da
  • Monoisotopic mass418.005035 Da
  • ChemSpider ID78464704

More details:

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

2-Benzothiazolepropanamide, N-[5-[(2-thienylmethyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
3-(1,3-Benzothiazol-2-yl)-N-{5-[(2-thienylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamid [German] [ACD/IUPAC Name]
3-(1,3-Benzothiazol-2-yl)-N-{5-[(2-thienylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide [ACD/IUPAC Name]
3-(1,3-Benzothiazol-2-yl)-N-{5-[(2-thiénylméthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1559.83
ACD/KOC (pH 5.5): 6717.10
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1545.11
ACD/KOC (pH 7.4): 6653.70
Polar Surface Area: 178 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement