Found 17 results

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

(2Z)-2-{[1-(4-Butylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-(3,5-dimethylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC27H29N5S2
  • Average mass487.683 Da
  • Monoisotopic mass487.186432 Da
  • ChemSpider ID76013835

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[1-(4-Butylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylen}-N-(3,5-dimethylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-{[1-(4-Butylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-(3,5-dimethylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2Z)-2-{[1-(4-Butylphényl)-3-(2-thiényl)-1H-pyrazol-4-yl]méthylène}-N-(3,5-diméthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[[1-(4-butylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-N-(3,5-dimethylphenyl)-, (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: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 7.29
ACD/BCF (pH 5.5): 203464.38
ACD/KOC (pH 5.5): 219475.64
ACD/LogD (pH 7.4): 7.29
ACD/BCF (pH 7.4): 202758.55
ACD/KOC (pH 7.4): 218714.28
Polar Surface Area: 115 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 402.9±7.0 cm3

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