Found 549 results

Search term: MF = 'C_{21}H_{29}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | 2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl 2-methyl-1-piperidinecarbodithioate | C21H29N3O2S2

2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl 2-methyl-1-piperidinecarbodithioate

  • Molecular FormulaC21H29N3O2S2
  • Average mass419.604 Da
  • Monoisotopic mass419.170105 Da
  • ChemSpider ID32082873

More details:

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

1-Piperidinecarbodithioic acid, 2-methyl-, 2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl ester [ACD/Index Name]
2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl 2-methyl-1-piperidinecarbodithioate [ACD/IUPAC Name]
2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl-2-methyl-1-piperidincarbodithioat [German] [ACD/IUPAC Name]
2-Méthyl-1-pipéridinecarbodithioate de 2-[4-(4-acétylphényl)-1-pipérazinyl]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl 2-methylpiperidine-1-carbodithioate
MFCD28165665

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.3±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.08
ACD/KOC (pH 5.5): 872.38
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.09
ACD/KOC (pH 7.4): 872.49
Polar Surface Area: 101 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

Click to predict properties on the Chemicalize site


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