Chemical Properties of l-Methionine, N-(2-thienylcarbonyl)-, methyl ester

l-Methionine, N-(2-thienylcarbonyl)-, methyl ester

InChI
InChI=1S/C11H15NO3S2/c1-15-11(14)8(5-7-16-2)12-10(13)9-4-3-6-17-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,13)
InChI Key
YUOSMZKMASOXEA-UHFFFAOYSA-N
Formula
C11H15NO3S2
SMILES
COC(=O)C(CCSC)NC(=O)c1cccs1
Molecular Weight1
273.37
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
ΔvapH° 90.16 kJ/mol Relay (1.0) Calculated Property
IE 8.52 eV Relay (1.0) Calculated Property
logPoct/wat 1.773 Crippen Calculated Property
McVol 198.080 ml/mol McGowan Calculated Property
Inp [2129.00; 2129.00]   Show Hide
Inp 2129.00 NIST
Inp 2129.00 NIST
Tboil 619.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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

L-Methionine, N-(2-chlorobenzoyl)-, methyl ester. l-Methionine, N-(3-trifluoromethylbenzoyl)-, methyl ester. l-Methionine, N-(3-fluorobenzoyl)-, methyl ester. L-Methionine, N-(2-trifluoromethylbenzoyl)-, methyl ester. l-Methionine, N-(2,3,4-trifluorobenzoyl)-, methyl ester. l-Methionine, N-(m-anisoyl)-, methyl ester. l-Methionine, N-(2-fluorobenzoyl)-, methyl ester. l-Methionine, N-(m-toluoyl)-, methyl ester. l-Methionine, N-(2,6-difluorobenzoyl)-, methyl ester. l-Methionine, N-(4-fluorobenzoyl)-, methyl ester. l-Methionine, N-(p-toluoyl)-, methyl ester. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. l-Methionine, N-(p-anisoyl)-, methyl ester. Poligodial + Phe (methyl ester) adduct, (S). Poligodial + Phe (methyl ester) adduct, (R).

Find more compounds similar to l-Methionine, N-(2-thienylcarbonyl)-, methyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.