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

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7652 Relay (... Calculated Property
ΔfG° -235.67 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -581.55 kJ/mol Relay (... Calculated Property
ΔvapH° 128.64 kJ/mol Relay (... Calculated Property
IE 8.78 eV Relay (... Calculated Property
log10WS -2.19 Relay (... 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 667.60 K Relay (... Calculated Property
Tc 935.67 K Relay (... Calculated Property
Tfus 418.32 K Relay (... Calculated Property
Vc 0.745 m3/kmol Relay (... Calculated Property

Similar Compounds

Lincomycin. Dihydromorphine. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Methyldihydromorphine. Hydrocodone. Dihydromorphinone acetate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 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»)]-. Acetyldihydrocodeine. 3',5'-Diacetylthymidine. 3'-dihydrocinnamoylindicine. Heptafluorobutyryl-codeine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. QUINIDINE, M(HO-), AC.

Find more compounds similar to Thiopyran-3-carboxylic acid, 5-benzamido-4-oxo-, ethyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.