ChemSpider 2D Image | (3S,5E)-3-[(2-Hydroxyethyl)sulfanyl]-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile | C10H13N3O4S

(3S,5E)-3-[(2-Hydroxyethyl)sulfanyl]-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile

  • Molecular FormulaC10H13N3O4S
  • Average mass271.293 Da
  • Monoisotopic mass271.062683 Da
  • ChemSpider ID57452693

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,5E)-3-[(2-Hydroxyethyl)sulfanyl]-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile [ACD/IUPAC Name]
(3S,5E)-3-[(2-Hydroxyéthyl)sulfanyl]-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile [French] [ACD/IUPAC Name]
(3S,5E)-3-[(2-Hydroxyethyl)sulfanyl]-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentannitril [German] [ACD/IUPAC Name]
Pentanenitrile, 3-[(2-hydroxyethyl)thio]-4-oxo-5-[(2-oxo-3-oxazolidinyl)imino]-, (3S,5E)- [ACD/Index Name]
(3S)-3-[(2-HYDROXYETHYL)SULFANYL]-4-OXO-5-[(2-OXO-1,3-OXAZOLIDIN-3-YL)IMINO]PENTANENITRILE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 483.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 246.4±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 66.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.89
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.89
Polar Surface Area: 128 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 190.3±7.0 cm3

Click to predict properties on the Chemicalize site


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