Chemical Properties of 3-chloro-6-diethoxyphosphinothioyloxy-4-methylchromen-2-one

3-chloro-6-diethoxyphosphinothioyloxy-4-methylchromen-2-one

InChI
InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-12-11(8-10)9(3)13(15)14(16)19-12/h6-8H,4-5H2,1-3H3
InChI Key
SJNIEBAPMPLYAB-UHFFFAOYSA-N
Formula
C14H16ClO5PS
SMILES
CCOP(=S)(OCC)Oc1ccc2oc(=O)c(Cl)c(C)c2c1
Molecular Weight1
362.77
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Physical Properties

Property Value Unit Source
ω 0.7325 Relay (1.0) Calculated Property
Δf -389.64 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -744.43 kJ/mol Relay (1.0) Calculated Property
Δvap 109.07 kJ/mol Relay (1.0) Calculated Property
IE 8.12 eV Relay (1.0) Calculated Property
log10WS -5.38 Aq. Solubility Prediction
logPoct/wat 4.431 Crippen Calculated Property
McVol 243.300 ml/mol McGowan Calculated Property
Pc 1689.77 kPa Relay (1.0-beta) Calculated Property
Tboil 692.26 K Relay (1.0) Calculated Property
Tc 907.33 K Relay (1.0) Calculated Property
Tfus 352.46 K Relay (1.0) Calculated Property
Vc 0.894 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Coumaphos. Coralox. 1-Tetrahydrocannabinol, 6«alpha»-hydroxy, TMS. Cytidine, methyl-TMS derivative. Pumiline A. Dihydromorphinone acetate. Hydrocodone. Moexipril Me. Hydromorphone. Mucronatinine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Acetyldihydrocodeine. Dihydromorphine. Axillarine. Glyceollin III, TMS.

Find more compounds similar to 3-chloro-6-diethoxyphosphinothioyloxy-4-methylchromen-2-one.

Sources

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