Chemical Properties of [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV

[1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV

InChI
InChI=1S/C5H4S3/c1-3-6-8-5(1)2-4-7-8/h1-4H
InChI Key
JUEJPBZMWHMMPS-UHFFFAOYSA-N
Formula
C5H4S3
SMILES
C1=CC2=S(S1)SC=C2
Molecular Weight1
160.29
Other Names
  • 1,6,6a-Trithia(6a-SIV)pentalene
  • 1,6,6a-Trithiapentalene-6aS
  • 1,6,6a-Trithiapentalene-6«alpha»-S(IV)
  • 1,6,6aS(IV)-Trithiapentalene
  • 6a-Thiathiophthene
  • Meribicyclo-1,3-epidithiopenta-1,3-diene-5-thial
  • Thiathiophthen
  • Thiathiophthene
  • Thiothiophthene
  • Trithiapentalene
  • [1,2]Dithiolo[1,5-b][1,2]dithiole
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Physical Properties

Property Value Unit Source
ΔfusH° 10.59 kJ/mol Joback Calculated Property
IE 8.11 eV NIST
logPoct/wat 2.779 Crippen Calculated Property
McVol 100.040 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 [115.85; 240.83] 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 A-4.64000e+00
Coefficient B5.55030e-01
Coefficient C-4.56460e-04
Coefficient D1.46900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 115.85 J/mol×K 273.00 Calculated Property
Cp,gas 141.09 J/mol×K 353.78 Calculated Property
Cp,gas 162.41 J/mol×K 434.56 Calculated Property
Cp,gas 180.27 J/mol×K 515.33 Calculated Property
Cp,gas 195.13 J/mol×K 596.11 Calculated Property
Cp,gas 207.47 J/mol×K 676.89 Calculated Property
Cp,gas 217.75 J/mol×K 757.67 Calculated Property
Cp,gas 226.42 J/mol×K 838.44 Calculated Property
Cp,gas 233.96 J/mol×K 919.22 Calculated Property
Cp,gas 240.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

[1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2,5-diphenyl-. 2-Methylthio-5-phenyl-6a-thiathiophthene. 2-Methyl-5-phenyl-6a-thiathiophthene. 4-Oxo-«beta»-ionol, Gly, TFA. 4-Hydroxy-4-phenyl-3,5,5-trimethylthiazolidine-2-thione. 2-(N,n-di-n-hexylamino)-3-(n-heptyl)pyrazine. 2-(N-n-hexyl-n-n-octylamino)-3-(n-nonyl) pyrazine. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. 2-(N,n-di-n-butylamino)-3-(n-pentyl)pyrazine. Alphaprodine. Betaprodine. Tolmetin, TBDMS. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. Gly-Pro, butyl ester, TFA. Tolmetin, methylated.

Find more compounds similar to [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV.

Sources

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