Chemical Properties of 1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide

1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide

InChI
InChI=1S/C24H14N2O3S2/c27-20-16-11-5-6-12-17(16)21(28)19(25-13-7-2-8-14-25)18(20)22-23(29)26(24(30)31-22)15-9-3-1-4-10-15/h1-14H
InChI Key
NCCDAIUPZIASNQ-UHFFFAOYSA-N
Formula
C24H14N2O3S2
SMILES
O=C1C(=C2SC(=S)N(c3ccccc3)C2=O)C([n+]2ccccc2)=C([O-])c2ccccc21
Molecular Weight1
442.51
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Physical Properties

Property Value Unit Source
ω 0.7415 Relay (1.0) Calculated Property
ΔfG° 269.73 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 236.87 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 139.71 kJ/mol Relay (1.0) Calculated Property
IE 7.16 eV Relay (1.0) Calculated Property
log10WS -6.27 Relay (1.0) Calculated Property
logPoct/wat 3.176 Crippen Calculated Property
McVol 304.790 ml/mol McGowan Calculated Property
Pc 1470.56 kPa Relay (1.0-beta) Calculated Property
Tboil 763.53 K Relay (1.0) Calculated Property
Tc 1226.12 K Relay (1.0) Calculated Property
Tfus 523.18 K Relay (1.0) Calculated Property
Vc 1.019 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide.

Sources

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