ChemSpider 2D Image | 4-({5-[(3-Bromophenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)butanenitrile | C12H11BrN4S2

4-({5-[(3-Bromophenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)butanenitrile

  • Molecular FormulaC12H11BrN4S2
  • Average mass355.276 Da
  • Monoisotopic mass353.960846 Da
  • ChemSpider ID31532869

More details:

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

4-({5-[(3-Bromophenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)butanenitrile [ACD/IUPAC Name]
4-({5-[(3-Bromophényl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)butanenitrile [French] [ACD/IUPAC Name]
4-({5-[(3-Bromphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)butannitril [German] [ACD/IUPAC Name]
Butanenitrile, 4-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]thio]- [ACD/Index 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: 523.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.3±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 615.42
ACD/KOC (pH 5.5): 3452.09
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 615.46
ACD/KOC (pH 7.4): 3452.32
Polar Surface Area: 115 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 219.7±5.0 cm3

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