ChemSpider 2D Image | (2Z)-4-[(2-Aminoethyl)sulfanyl]-2-[(2,4-dinitrophenyl)hydrazono]butanoic acid | C12H15N5O6S

(2Z)-4-[(2-Aminoethyl)sulfanyl]-2-[(2,4-dinitrophenyl)hydrazono]butanoic acid

  • Molecular FormulaC12H15N5O6S
  • Average mass357.342 Da
  • Monoisotopic mass357.074310 Da
  • ChemSpider ID35805881

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-[(2-Aminoethyl)sulfanyl]-2-[(2,4-dinitrophenyl)hydrazono]butanoic acid [ACD/IUPAC Name]
(2Z)-4-[(2-Aminoethyl)sulfanyl]-2-[(2,4-dinitrophenyl)hydrazono]butansäure [German] [ACD/IUPAC Name]
Acide (2Z)-4-[(2-aminoéthyl)sulfanyl]-2-[(2,4-dinitrophényl)hydrazono]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2-aminoethyl)thio]-2-[2-(2,4-dinitrophenyl)hydrazinylidene]-, (2Z)- [ACD/Index Name]
BUTANOIC ACID, 4-[(2-AMINOETHYL)THIO]-2-[(2,4-DINITROPHENYL)HYDRAZONO]-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 583.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.4±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 84.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 205 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 223.3±7.0 cm3

Click to predict properties on the Chemicalize site


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