Found 196 results

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

(2E)-N-(3-Chloro-2-methylphenyl)-2-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methylene}hydrazinecarbothioamide

  • Molecular FormulaC21H21ClN4S
  • Average mass396.936 Da
  • Monoisotopic mass396.117554 Da
  • ChemSpider ID23017010

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(3-Chlor-2-methylphenyl)-2-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methylen}hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2E)-N-(3-Chloro-2-methylphenyl)-2-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methylene}hydrazinecarbothioamide [ACD/IUPAC Name]
(2E)-N-(3-Chloro-2-méthylphényl)-2-{[1-(2-méthylbenzyl)-1H-pyrrol-2-yl]méthylène}hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, N-(3-chloro-2-methylphenyl)-2-[[1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl]methylene]-, (2E)- [ACD/Index Name]
1-(2-methylbenzyl)-1H-pyrrole-2-carbaldehyde N-(3-chloro-2-methylphenyl)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: 533.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.4±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: 7.09
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42782.54
ACD/KOC (pH 5.5): 71885.50
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42753.62
ACD/KOC (pH 7.4): 71836.90
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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