ChemSpider 2D Image | 2-(3,4-Dihydroxybenzylidene)hydrazinecarbothioamide | C8H9N3O2S

2-(3,4-Dihydroxybenzylidene)hydrazinecarbothioamide

  • Molecular FormulaC8H9N3O2S
  • Average mass211.241 Da
  • Monoisotopic mass211.041550 Da
  • ChemSpider ID32782210

More details:

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

2-(3,4-Dihydroxybenzyliden)hydrazincarbothioamid [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxybenzylidene)hydrazinecarbothioamide [ACD/IUPAC Name]
2-(3,4-Dihydroxybenzylidène)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[(3,4-dihydroxyphenyl)methylene]- [ACD/Index Name]
22043-07-8 [RN]
3,4-dihydroxybenzaldehyde thiosemicarbazone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 224.1±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 53.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.20
ACD/KOC (pH 5.5): 113.27
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 97.36
Polar Surface Area: 123 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 142.3±7.0 cm3

Click to predict properties on the Chemicalize site


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