Chemical Properties of Thiopyran-3-carboxylic acid, 5-benzamido-4-oxo-, ethyl ester (CAS 116277-58-8)

Thiopyran-3-carboxylic acid, 5-benzamido-4-oxo-, ethyl ester

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InChI
InChI=1S/C15H17NO4S/c1-2-20-15(19)11-8-21-9-12(13(11)17)16-14(18)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18)
InChI Key
CDIUBHOIPBTGSZ-UHFFFAOYSA-N
Formula
C15H17NO4S
SMILES
CCOC(=O)C1CSCC(N=C(O)c2ccccc2)C1=O
Molecular Weight1
307.37
CAS
116277-58-8
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Physical Properties

Property Value Unit Source
ΔfH°gas -499.46 kJ/mol Joback Calculated Property
ΔvapH° 90.67 kJ/mol Joback Calculated Property
log10WS -2.08 Crippen Calculated Property
logPoct/wat 1.855 Crippen Calculated Property
McVol 224.500 ml/mol McGowan Calculated Property
Pc 2293.71 kPa Joback Calculated Property
Tboil 944.84 K Joback Calculated Property
Tc 1191.06 K Joback Calculated Property

Similar Compounds

Lincomycin. Acetyldihydrocodeine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Methyldihydromorphine. Hydrocodone. Dihydromorphinone acetate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Dihydromorphine. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Hydromorphone. 3',5'-Diacetylthymidine. 3'-dihydrocinnamoylindicine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ethylmorphine, trimethylsilyl ether. Hydromorphone, tert-butyldimethylsilyl ether.

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Sources

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