ChemSpider 2D Image | 5-Chloro-4-({[5-(4-methoxyphenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3-thiadiazole | C17H18ClN5O2S2

5-Chloro-4-({[5-(4-methoxyphenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3-thiadiazole

  • Molecular FormulaC17H18ClN5O2S2
  • Average mass423.940 Da
  • Monoisotopic mass423.059052 Da
  • ChemSpider ID22368677

More details:

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

1,2,3-Thiadiazole, 5-chloro-4-[[[5-(4-methoxyphenyl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index Name]
5-Chlor-4-({[5-(4-methoxyphenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3-thiadiazol [German] [ACD/IUPAC Name]
5-Chloro-4-({[5-(4-methoxyphenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3-thiadiazole [ACD/IUPAC Name]
5-Chloro-4-({[5-(4-méthoxyphényl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-1,2,3-thiadiazole [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.8±34.3 °C
Index of Refraction: 1.739
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.10
ACD/KOC (pH 5.5): 1363.55
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.11
ACD/KOC (pH 7.4): 1363.60
Polar Surface Area: 128 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 272.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement