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Chemical Properties of .alpha.-Methylthio-.beta.-(4-nitrophenyl)thiostyrene (E)

.alpha.-Methylthio-.beta.-(4-nitrophenyl)thiostyrene (E)

InChI
InChI=1S/C15H13NO2S2/c1-19-15(12-5-3-2-4-6-12)11-20-14-9-7-13(8-10-14)16(17)18/h2-11H,1H3/b15-11-
InChI Key
MKYPVELDKWUVSU-PTNGSMBKSA-N
Formula
C15H13NO2S2
SMILES
CS/C(=C/Sc1ccc([N+](=O)[O-])cc1)c1ccccc1
Molecular Weight1
303.41
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Physical Properties

Property Value Unit Source
ΔfH°gas 244.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.81 kJ/mol Joback Calculated Property
ΔvapH° 114.14 kJ/mol Relay (1.0) Calculated Property
IE 7.70 eV Relay (1.0) Calculated Property
log10WS -5.69 Relay (1.0) Calculated Property
logPoct/wat 5.048 Crippen Calculated Property
McVol 220.510 ml/mol McGowan Calculated Property
Tboil 674.60 K Relay (1.0) Calculated Property
Tfus 382.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [597.73; 652.07] J/mol×K [894.38; 1193.44] Show Hide
Cp,gas 597.73 J/mol×K 894.38 Joback Calculated Property
Cp,gas 609.81 J/mol×K 944.22 Joback Calculated Property
Cp,gas 620.48 J/mol×K 994.07 Joback Calculated Property
Cp,gas 629.88 J/mol×K 1043.91 Joback Calculated Property
Cp,gas 638.18 J/mol×K 1093.75 Joback Calculated Property
Cp,gas 645.53 J/mol×K 1143.60 Joback Calculated Property
Cp,gas 652.07 J/mol×K 1193.44 Joback Calculated Property

Similar Compounds

Allylprodine. N6-TMS-2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. 5-Hydroxytryptophan, methyl, 2-PFP. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. Cupric trifluoroacetylacetonate. 2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. 2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. 2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate. 11B-Hydroxyoestrone (enol), TMS. Sulforidazine M (nor-), monoacetylated. 3,3-dimethyl-7-oxo-6-[[2-(phenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. Glyceollin I, TMS. Thymidine, 3'-O-TMS, 5'-O-TBDMS. narwedine.

Find more compounds similar to .alpha.-Methylthio-.beta.-(4-nitrophenyl)thiostyrene (E).

Sources

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