ChemSpider 2D Image | 3,3-Dihydroxy-2-propenethioamide | C3H5NO2S

3,3-Dihydroxy-2-propenethioamide

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID95776457

More details:

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

2-Propenethioamide, 3,3-dihydroxy- [ACD/Index Name]
3,3-Dihydroxy-2-propenethioamide [ACD/IUPAC Name]
3,3-Dihydroxy-2-propènethioamide [French] [ACD/IUPAC Name]
3,3-Dihydroxy-2-propenthioamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 282.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.5±6.0 kJ/mol
Flash Point: 124.8±30.1 °C
Index of Refraction: 1.722
Molar Refractivity: 29.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.99
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 99 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 111.0±3.0 dyne/cm
Molar Volume: 75.1±3.0 cm3

Click to predict properties on the Chemicalize site


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