ChemSpider 2D Image | 2-Ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-piperidinecarbothioamide | C22H25N3S2

2-Ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-piperidinecarbothioamide

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID60452147

More details:

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

1-Piperidinecarbothioamide, 2-ethyl-N-[4-(6-methyl-2-benzothiazolyl)phenyl]- [ACD/Index Name]
2-Ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-piperidincarbothioamid [German] [ACD/IUPAC Name]
2-Ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-piperidinecarbothioamide [ACD/IUPAC Name]
2-Éthyl-N-[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]-1-pipéridinecarbothioamide [French] [ACD/IUPAC 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: 537.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10945.22
ACD/KOC (pH 5.5): 27093.06
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10945.88
ACD/KOC (pH 7.4): 27094.69
Polar Surface Area: 88 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 319.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement