Chemical Properties of 2,3-DIOXO-2,3-DIHYDROBENZO[b]THIOPHENE/THIOISATIN

2,3-DIOXO-2,3-DIHYDROBENZO[b]THIOPHENE/THIOISATIN

InChI
InChI=1S/C8H4O2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChI Key
MHESOLAAORBNPM-UHFFFAOYSA-N
Formula
C8H4O2S
SMILES
O=C1Sc2ccccc2C1=O
Molecular Weight1
164.19
Other Names
  • Thioisatin
  • Thianaphthenequinone
  • Thionaphthenequinone
  • Thionaphthoquinone
  • 2,3-Dioxo-2,3-dihydrothionaphthene
  • 2,3-Thionaphthenequinone
  • Benzo[b]thiophen-2,3-dion
  • 2,3-Dihydrobenzo[b]thiophen-2,3-dione
  • 2,3-Dioxo-2,3-dihydrobenzo[b]thiophene
  • Benzothiophene-2,3-dione
  • NSC 114478
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Physical Properties

Property Value Unit Source
ΔfH°gas -119.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 9.87 kJ/mol Joback Calculated Property
IE 9.14 ± 0.05 eV NIST
log10WS -3.12 Relay (1.0) Calculated Property
logPoct/wat 1.502 Crippen Calculated Property
McVol 108.450 ml/mol McGowan Calculated Property
Tboil 557.23 K Relay (1.0) Calculated Property
Tfus 418.75 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [238.60; 294.38] J/mol×K [608.98; 888.41] Show Hide
Cp,gas 238.60 J/mol×K 608.98 Joback Calculated Property
Cp,gas 249.98 J/mol×K 655.55 Joback Calculated Property
Cp,gas 260.54 J/mol×K 702.12 Joback Calculated Property
Cp,gas 270.26 J/mol×K 748.69 Joback Calculated Property
Cp,gas 279.14 J/mol×K 795.27 Joback Calculated Property
Cp,gas 287.18 J/mol×K 841.84 Joback Calculated Property
Cp,gas 294.38 J/mol×K 888.41 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(acetylthio)-, methyl ester. Benzoic acid, 2-(trifluoroacetylthio)-, methyl ester. Acetic 2-(acetylsulfanyl)benzoic anhydride. Benzoic acid, 2-acetylthio-, trimethylsilyl ester. 4H-1-Benzothiopyran-4-one, 2,3-dihydro-. 6-ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one. Benzoic acid, 2-(heptafluorobutyrylthio)-, methyl ester. Benzoic acid, 2-trifluoroacetylthio-, trimethylsilyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-. 2-(Methylthio)benzoic acid, 4-bromophenethyl ester. Benzoic acid, 2-heptafluorobutyrylthio-, trimethylsilyl ester. 2-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester. Benzo[b]thiophene, 2,3-dihydro-. Benzoic acid, 2-(2-methylpropyl)thio-, methyl ester.

Find more compounds similar to 2,3-DIOXO-2,3-DIHYDROBENZO[b]THIOPHENE/THIOISATIN.

Sources

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