ChemSpider 2D Image | 2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone | C15H21N3O2S3

2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone

  • Molecular FormulaC15H21N3O2S3
  • Average mass371.541 Da
  • Monoisotopic mass371.079590 Da
  • ChemSpider ID31219630

More details:

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

2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanon [German] [ACD/IUPAC Name]
2-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone [ACD/IUPAC Name]
2-{[5-(Éthylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-[1-(2-méthoxyéthyl)-2,5-diméthyl-1H-pyrrol-3-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.3±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.43
ACD/KOC (pH 5.5): 2061.26
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.43
ACD/KOC (pH 7.4): 2061.26
Polar Surface Area: 136 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

Click to predict properties on the Chemicalize site


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