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Search term: WNTGIUMXZUDPIG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(3-[(Dimethylamino)methyl]-4-{[4-(methylsulfanyl)phenyl]sulfanyl}phenyl)methanesulfonamide | C17H22N2O2S3

N-(3-[(Dimethylamino)methyl]-4-{[4-(methylsulfanyl)phenyl]sulfanyl}phenyl)methanesulfonamide

  • Molecular FormulaC17H22N2O2S3
  • Average mass382.564 Da
  • Monoisotopic mass382.084351 Da
  • ChemSpider ID23341908

More details:

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

Methanesulfonamide, N-[3-[(dimethylamino)methyl]-4-[[4-(methylthio)phenyl]thio]phenyl]- [ACD/Index Name]
N-(3-[(Dimethylamino)methyl]-4-{[4-(methylsulfanyl)phenyl]sulfanyl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(3-[(Diméthylamino)méthyl]-4-{[4-(méthylsulfanyl)phényl]sulfanyl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(3-[(Dimethylamino)methyl]-4-{[4-(methylsulfanyl)phenyl]sulfanyl}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
CHEMBL449015
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449015/
N-(3-((dimethylamino)methyl)-4-(4-(methylthio)phenylthio)phenyl)methanesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 7.10
ACD/KOC (pH 7.4): 56.28
Polar Surface Area: 108 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 292.2±5.0 cm3

Click to predict properties on the Chemicalize site


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