ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-[3-(hydroxymethyl)-1-azetidinyl]ethanone | C10H17NO4S2

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-[3-(hydroxymethyl)-1-azetidinyl]ethanone

  • Molecular FormulaC10H17NO4S2
  • Average mass279.376 Da
  • Monoisotopic mass279.059906 Da
  • ChemSpider ID47152440

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-[3-(hydroxymethyl)-1-azetidinyl]ethanon [German] [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-[3-(hydroxymethyl)-1-azetidinyl]ethanone [ACD/IUPAC Name]
2-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfanyl]-1-[3-(hydroxyméthyl)-1-azétidinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-(hydroxymethyl)-1-azetidinyl]-2-[(tetrahydro-1,1-dioxido-3-thienyl)thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 578.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 303.6±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.04
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.04
Polar Surface Area: 108 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 192.6±5.0 cm3

Click to predict properties on the Chemicalize site


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