Chemical Properties of Rhodanine (CAS 141-84-4)

Rhodanine

InChI
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChI Key
KIWUVOGUEXMXSV-UHFFFAOYSA-N
Formula
C3H3NOS2
SMILES
OC1=NC(=S)SC1
Molecular Weight1
133.19
CAS
141-84-4
Other Names
  • 2,4-Thiazolidinedione, 2-thio-
  • 2-Thio-4-ketothiazolidine
  • 2-Thioxo-4-thiazolidinone
  • 4-Oxo-2-thionothiazolidine
  • 4-Oxo-2-thiothiazolidin
  • 4-Oxo-2-thioxothiazoline
  • 4-Thiazolidinone, 2-thioxo-
  • 4-Thiazolidinone-2-thione
  • NSC 1899
  • Rhodanic acid
  • Rhodanin
  • Rhodaninic acid
  • Rodanin
  • USAF HA-2
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Physical Properties

Property Value Unit Source
ΔfusH° 16.14 kJ/mol Joback Calculated Property
log10WS [-1.77; -1.77]   Show Hide
log10WS -1.77 Aq. Solubility Prediction
log10WS -1.77 Estimated Solubility
logPoct/wat 0.975 Crippen Calculated Property
McVol 82.220 ml/mol McGowan Calculated Property
Tfus 442.65 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [101.48; 207.81] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.23000e+00
Coefficient B4.23380e-01
Coefficient C-3.10100e-04
Coefficient D8.73000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 101.48 J/mol×K 273.00 Calculated Property
Cp,gas 122.07 J/mol×K 353.78 Calculated Property
Cp,gas 139.82 J/mol×K 434.56 Calculated Property
Cp,gas 155.01 J/mol×K 515.33 Calculated Property
Cp,gas 167.91 J/mol×K 596.11 Calculated Property
Cp,gas 178.80 J/mol×K 676.89 Calculated Property
Cp,gas 187.97 J/mol×K 757.67 Calculated Property
Cp,gas 195.67 J/mol×K 838.44 Calculated Property
Cp,gas 202.19 J/mol×K 919.22 Calculated Property
Cp,gas 207.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4-Thiazolidinedione. Omethoate. 4-Methyl-3-thiazoline. 2-methyl-3-thiazoline. 2-Thiopheneacetamide, N-propyl-. 2-Thiopheneacetamide, N-butyl-. 3-ETHOXYCARBONYLQUINOXALINE 1-OXIDE. 9H-purine, 2-amino-6-(butylamino)-. Tocotrienol, 7-methyl. Silane, chlorodiethyl(2-phenylphenoxy)-. Glycine, N-(trimethylsilyl)-N-[2-[(trimethylsilyl)oxy]benzoyl]-, trimethylsilyl ester. 9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester. Benzeneacetamide, N-(phenylmethyl)-. Silane, dimethyl(dimethyl(pyrid-2-ylmethyloxy)silyloxy)(pyrid-2-ylmethyloxy)-. Flumetralin.

Find more compounds similar to Rhodanine.

Sources

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