Found 13 results

Search term: MF = 'C_{30}H_{30}N_{4}S_{2}'
ChemSpider 2D Image | (E)-1-[4-(2-Methyl-2-propanyl)phenyl]-N-{3-[(1-naphthylmethyl)sulfanyl]-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}methanimine | C30H30N4S2

(E)-1-[4-(2-Methyl-2-propanyl)phenyl]-N-{3-[(1-naphthylmethyl)sulfanyl]-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}methanimine

  • Molecular FormulaC30H30N4S2
  • Average mass510.716 Da
  • Monoisotopic mass510.191193 Da
  • ChemSpider ID126470543

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-[4-(2-Methyl-2-propanyl)phenyl]-N-{3-[(1-naphthylmethyl)sulfanyl]-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}methanimin [German] [ACD/IUPAC Name]
(E)-1-[4-(2-Methyl-2-propanyl)phenyl]-N-{3-[(1-naphthylmethyl)sulfanyl]-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}methanimine [ACD/IUPAC Name]
(E)-1-[4-(2-Méthyl-2-propanyl)phényl]-N-{3-[(1-naphtylméthyl)sulfanyl]-5-[2-(2-thiényl)éthyl]-4H-1,2,4-triazol-4-yl}méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-[4-(1,1-dimethylethyl)phenyl]methylene]-3-[(1-naphthalenylmethyl)thio]-5-[2-(2-thienyl)ethyl]- [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: 702.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.4±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 156.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.33
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 767137.81
ACD/LogD (pH 7.4): 8.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 767490.81
Polar Surface Area: 97 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 429.1±7.0 cm3

Click to predict properties on the Chemicalize site


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