ChemSpider 2D Image | 1-(4-sec-Butylphenyl)-3-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea | C22H30N4O2S2

1-(4-sec-Butylphenyl)-3-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea

  • Molecular FormulaC22H30N4O2S2
  • Average mass446.629 Da
  • Monoisotopic mass446.181030 Da
  • ChemSpider ID21799722

More details:

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

1-(4-sec-Butylphenyl)-3-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thioharnstoff [German] [ACD/IUPAC Name]
1-(4-sec-Butylphenyl)-3-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea [ACD/IUPAC Name]
1-(4-sec-Butylphényl)-3-{4-[(4-méthyl-1-pipérazinyl)sulfonyl]phényl}thiourée [French] [ACD/IUPAC Name]
1-(4-sec-Butylphenyl)-3-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}thiourea
Thiourea, N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N'-[4-(1-methylpropyl)phenyl]- [ACD/Index Name]
1-[4-(4-METHYLPIPERAZIN-1-YLSULFONYL)PHENYL]-3-[4-(SEC-BUTYL)PHENYL]THIOUREA
1-[4-(butan-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}thiourea
3-[4-(BUTAN-2-YL)PHENYL]-1-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}THIOUREA
MFCD06122104

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 67.89
ACD/KOC (pH 5.5): 444.49
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 338.88
ACD/KOC (pH 7.4): 2218.70
Polar Surface Area: 105 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 350.7±3.0 cm3

Click to predict properties on the Chemicalize site


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