Chemical Properties of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- (CAS 114171-77-6)

Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-

InChI
InChI=1S/C15H16N2O2S/c1-4-17(5-2)11-6-7-12-10(3)14(20-9-16)15(18)19-13(12)8-11/h6-8H,4-5H2,1-3H3
InChI Key
KGDNJUMHXJGLRF-UHFFFAOYSA-N
Formula
C15H16N2O2S
SMILES
CCN(CC)c1ccc2c(C)c(SC#N)c(=O)oc2c1
Molecular Weight1
288.37
CAS
114171-77-6
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Physical Properties

Property Value Unit Source
IE 7.75 eV NIST
log10WS -5.53 Relay (1.0) Calculated Property
logPoct/wat 3.521 Crippen Calculated Property
McVol 218.440 ml/mol McGowan Calculated Property
Tfus 410.85 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Similar Compounds

2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-. Coumarin, 3-formyl-4-methyl-7-(N,N-diethyl amino)-. Quebrachamine. Norhydrocodone. Quinapril Me. bromadiolone. Moexipril desethyl 3Me (Moexprilate 3Me). Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Hydrocodone. Hydromorphone. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. DIHYDROMORPHINONE ACETATE. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Ibogaine. Oxymorphone.

Find more compounds similar to Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-.

Sources

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