ChemSpider 2D Image | 2-{[(S)-[4-(Butylsulfanyl)phenyl](phenyl)methyl]sulfanyl}-N,N-dimethylethanamine | C21H29NS2

2-{[(S)-[4-(Butylsulfanyl)phenyl](phenyl)methyl]sulfanyl}-N,N-dimethylethanamine

  • Molecular FormulaC21H29NS2
  • Average mass359.592 Da
  • Monoisotopic mass359.174133 Da
  • ChemSpider ID34990991

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(S)-[4-(Butylsulfanyl)phenyl](phenyl)methyl]sulfanyl}-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
2-{[(S)-[4-(Butylsulfanyl)phenyl](phenyl)methyl]sulfanyl}-N,N-dimethylethanamine [ACD/IUPAC Name]
2-{[(S)-[4-(Butylsulfanyl)phényl](phényl)méthyl]sulfanyl}-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[[(S)-[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl- [ACD/Index Name]
207-629-1 [EINECS]
486-17-9 [RN]
captodiame
UNII-H93K9455DD

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

A6VHZ79D4O [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.7±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 17.25
ACD/KOC (pH 5.5): 39.82
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 482.45
ACD/KOC (pH 7.4): 1113.80
Polar Surface Area: 54 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 331.7±5.0 cm3

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