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Search term: SMCZOXCPBZBEAJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Benzyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide | C13H13N5O3S

N-Benzyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide

  • Molecular FormulaC13H13N5O3S
  • Average mass319.339 Da
  • Monoisotopic mass319.073914 Da
  • ChemSpider ID58135945

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-nitro-, 2-[[(phenylmethyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
N-Benzyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide [ACD/IUPAC Name]
N-Benzyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 87.86
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 85.98
Polar Surface Area: 147 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 219.8±3.0 cm3

Click to predict properties on the Chemicalize site


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