ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-chloro-3-nitro-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioamide | C14H13ClN6O5S

N-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-chloro-3-nitro-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioamide

  • Molecular FormulaC14H13ClN6O5S
  • Average mass412.808 Da
  • Monoisotopic mass412.035675 Da
  • ChemSpider ID102301709

More details:

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

1H-Pyrazole-1-acetic acid, 4-chloro-3-nitro-, 2-[[(1,3-benzodioxol-5-ylmethyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-chlor-3-nitro-1H-pyrazol-1-yl)acetyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-chloro-3-nitro-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)acétyl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.758
Molar Refractivity: 96.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 85.12
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 80.35
Polar Surface Area: 167 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

Click to predict properties on the Chemicalize site


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