ChemSpider 2D Image | MFCD04121587 | C21H21ClN4S

MFCD04121587

  • Molecular FormulaC21H21ClN4S
  • Average mass396.936 Da
  • Monoisotopic mass396.117554 Da
  • ChemSpider ID22918603

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-1,2,4-Triazole-3-thione, 4-[[(1E,2Z)-2-chloro-3-phenyl-2-propen-1-ylidene]amino]-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro- [ACD/Index Name]
4-{(E)-[(2Z)-2-Chlor-3-phenyl-2-propen-1-yliden]amino}-5-[4-(2-methyl-2-propanyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-{(E)-[(2Z)-2-Chloro-3-phenyl-2-propen-1-ylidene]amino}-5-[4-(2-methyl-2-propanyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-{(E)-[(2Z)-2-Chloro-3-phényl-2-propén-1-ylidène]amino}-5-[4-(2-méthyl-2-propanyl)phényl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(4-TERT-BUTYLPHENYL)-4-{[(E,2Z)-2-CHLORO-3-PHENYL-2-PROPENYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
MFCD04121587

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.2±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 8465.83
ACD/KOC (pH 5.5): 13117.79
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 368.68
ACD/KOC (pH 7.4): 571.27
Polar Surface Area: 82 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 330.7±7.0 cm3

Click to predict properties on the Chemicalize site


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