ChemSpider 2D Image | (4E)-4-[(Phenylcarbamothioyl)hydrazono]pentanoic acid | C12H15N3O2S

(4E)-4-[(Phenylcarbamothioyl)hydrazono]pentanoic acid

  • Molecular FormulaC12H15N3O2S
  • Average mass265.331 Da
  • Monoisotopic mass265.088501 Da
  • ChemSpider ID30657746

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[(Phenylcarbamothioyl)hydrazono]pentanoic acid [ACD/IUPAC Name]
(4E)-4-[(Phenylcarbamothioyl)hydrazono]pentansäure [German] [ACD/IUPAC Name]
Acide (4E)-4-[(phénylcarbamothioyl)hydrazono]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-[2-[(phenylamino)thioxomethyl]hydrazinylidene]-, (4E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 217.6±29.3 °C
Index of Refraction: 1.602
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.39
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 213.8±7.0 cm3

Click to predict properties on the Chemicalize site


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