Found 17 results

Search term: MF = 'C_{27}H_{29}N_{5}S_{2}'
ChemSpider 2D Image | (2Z)-2-{[1-(3,4-Dimethylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-[4-(2-methyl-2-propanyl)phenyl]hydrazinecarbothioamide | C27H29N5S2

(2Z)-2-{[1-(3,4-Dimethylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-[4-(2-methyl-2-propanyl)phenyl]hydrazinecarbothioamide

  • Molecular FormulaC27H29N5S2
  • Average mass487.683 Da
  • Monoisotopic mass487.186432 Da
  • ChemSpider ID76014139

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[1-(3,4-Dimethylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylen}-N-[4-(2-methyl-2-propanyl)phenyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-{[1-(3,4-Dimethylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-[4-(2-methyl-2-propanyl)phenyl]hydrazinecarbothioamide [ACD/IUPAC Name]
(2Z)-2-{[1-(3,4-Diméthylphényl)-3-(2-thiényl)-1H-pyrazol-4-yl]méthylène}-N-[4-(2-méthyl-2-propanyl)phényl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, N-[4-(1,1-dimethylethyl)phenyl]-2-[[1-(3,4-dimethylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-, (2Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 147.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.93
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 208477.36
ACD/KOC (pH 5.5): 223332.69
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 207781.98
ACD/KOC (pH 7.4): 222587.77
Polar Surface Area: 115 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

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