Found 1 result

Search term: JBEJHDRCSOHWMN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(4-Chlorophenyl)-2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide | C13H12ClN5O3S

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

  • Molecular FormulaC13H12ClN5O3S
  • Average mass353.784 Da
  • Monoisotopic mass353.034943 Da
  • ChemSpider ID58135980

More details:

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

1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, 2-[[(4-chlorophenyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
N-(4-Chlorophenyl)-2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide [ACD/IUPAC Name]
N-(4-Chlorophényl)-2-[(1-méthyl-4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
N-(4-Chlorphenyl)-2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]hydrazincarbothioamid [German] [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: 1.700
Molar Refractivity: 88.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.60
ACD/KOC (pH 5.5): 303.24
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 17.44
ACD/KOC (pH 7.4): 256.73
Polar Surface Area: 136 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 229.6±7.0 cm3

Click to predict properties on the Chemicalize site


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