ChemSpider 2D Image | S-[(2S)-2-Butanyl] O-ethyl (S)-(2-oxo-1,3-thiazolidin-3-yl)phosphonothioate | C9H18NO3PS2

S-[(2S)-2-Butanyl] O-ethyl (S)-(2-oxo-1,3-thiazolidin-3-yl)phosphonothioate

  • Molecular FormulaC9H18NO3PS2
  • Average mass283.348 Da
  • Monoisotopic mass283.046570 Da
  • ChemSpider ID21447290

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S)-(2-Oxo-1,3-thiazolidin-3-yl)phosphonothioate de S-[(2S)-2-butanyle] et de O-éthyle [French] [ACD/IUPAC Name]
Phosphonothioic acid, P-(2-oxo-3-thiazolidinyl)-, O-ethyl S-[(1S)-1-methylpropyl] ester, (S)- [ACD/Index Name]
S-[(2S)-2-Butanyl] O-ethyl (S)-(2-oxo-1,3-thiazolidin-3-yl)phosphonothioate [ACD/IUPAC Name]
S-[(2S)-2-Butanyl]-O-ethyl-(S)-(2-oxo-1,3-thiazolidin-3-yl)phosphonothioat [German] [ACD/IUPAC Name]
960003-90-1 [RN]
Fosthiazate [BSI] [ISO]
S-[(2S)-Butan-2-yl] O-ethyl (S)-(2-oxo-1,3-thiazolidin-3-yl)phosphonothioate
TPC-PC005
UNII-96QJ4O095U

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

Density: 1.3±0.1 g/cm3
Boiling Point: 371.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.3±23.2 °C
Index of Refraction: 1.541
Molar Refractivity: 70.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 134.62
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 134.62
Polar Surface Area: 107 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 223.4±5.0 cm3

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