Found 196 results

Search term: MF = 'C_{21}H_{21}ClN_{4}S'
ChemSpider 2D Image | (2E)-2-{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(2,3-dimethylphenyl)hydrazinecarbothioamide | C21H21ClN4S

(2E)-2-{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(2,3-dimethylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC21H21ClN4S
  • Average mass396.936 Da
  • Monoisotopic mass396.117554 Da
  • ChemSpider ID23016963

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[1-(2-Chlorbenzyl)-1H-pyrrol-2-yl]methylen}-N-(2,3-dimethylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2E)-2-{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(2,3-dimethylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2E)-2-{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]méthylène}-N-(2,3-diméthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[[1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methylene]-N-(2,3-dimethylphenyl)-, (2E)- [ACD/Index Name]
1-(2-chlorobenzyl)-1H-pyrrole-2-carbaldehyde N-(2,3-dimethylphenyl)thiosemicarbazone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19924.81
ACD/KOC (pH 5.5): 41599.60
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19885.34
ACD/KOC (pH 7.4): 41517.19
Polar Surface Area: 73 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 326.2±7.0 cm3

Click to predict properties on the Chemicalize site


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