Chemical Properties of 5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI
InChI=1S/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChI Key
QGVNJRROSLYGKF-UHFFFAOYSA-N
Formula
C8H12N2O2S
SMILES
CCC1(CC)C(=O)NC(=S)NC1=O
Molecular Weight1
200.26
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Physical Properties

Property Value Unit Source
ω 0.5173 Relay (1.0) Calculated Property
Δf 56.53 kJ/mol Joback Calculated Property
Δfgas -365.99 kJ/mol Relay (1.0) Calculated Property
Δfus 26.25 kJ/mol Joback Calculated Property
Δvap 99.55 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -2.32 Aq. Solubility Prediction
logPoct/wat 0.324 Crippen Calculated Property
McVol 147.870 ml/mol McGowan Calculated Property
Pc 4151.61 kPa Joback Calculated Property
Tboil 569.03 K Relay (1.0) Calculated Property
Tc 828.58 K Relay (1.0) Calculated Property
Tfus 498.29 K Relay (1.0) Calculated Property
Vc 0.476 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [388.29; 470.28] J/mol×K [707.61; 976.26] Show Hide
Cp,gas 388.29 J/mol×K 707.61 Joback Calculated Property
Cp,gas 403.21 J/mol×K 752.39 Joback Calculated Property
Cp,gas 417.51 J/mol×K 797.16 Joback Calculated Property
Cp,gas 431.28 J/mol×K 841.94 Joback Calculated Property
Cp,gas 444.61 J/mol×K 886.71 Joback Calculated Property
Cp,gas 457.58 J/mol×K 931.49 Joback Calculated Property
Cp,gas 470.28 J/mol×K 976.26 Joback Calculated Property

Similar Compounds

Barbital. 5-Ethyl-5(2-methylbutyl)-2-thiobarbituric acid. 5-Ethyl-5(1-ethylpropyl) 2-thiobarbituric acid. 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylpropyl)-2-thioxo-. Thiopental. 5-ethyl-5-methyl-1,3-diazinane-2,4,6-trione. Probarbital. Methallatal. Butethal. 7,9-diazaspiro[4.5]decane-6,8,10-trione. Barbituric acid, 5,5-dipropyl-. 5-methyl-5-propyl-1,3-diazinane-2,4,6-trione. Hexethal. 5-ethyl-5-octyl-1,3-diazinane-2,4,6-trione. 5-Nonyl-5-ethylbarbituric acid.

Find more compounds similar to 5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Sources

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