ChemSpider 2D Image | 2-[(4,5-Dibromo-1H-pyrrol-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazinecarbothioamide | C16H18Br2N4O3S

2-[(4,5-Dibromo-1H-pyrrol-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazinecarbothioamide

  • Molecular FormulaC16H18Br2N4O3S
  • Average mass506.212 Da
  • Monoisotopic mass503.946625 Da
  • ChemSpider ID102461065

More details:

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

1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-, 2-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]thioxomethyl]hydrazide [ACD/Index Name]
2-[(4,5-Dibrom-1H-pyrrol-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
2-[(4,5-Dibromo-1H-pyrrol-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazinecarbothioamide [ACD/IUPAC Name]
2-[(4,5-Dibromo-1H-pyrrol-2-yl)carbonyl]-N-[2-(3,4-diméthoxyphényl)éthyl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.30
ACD/KOC (pH 5.5): 490.49
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 38.83
ACD/KOC (pH 7.4): 472.62
Polar Surface Area: 120 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement