Chemical Properties of Butric acid, 2-benzamido-4[(carboxymethyl)thio]-, dimethyl ester

Butric acid, 2-benzamido-4[(carboxymethyl)thio]-, dimethyl ester

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InChI
InChI=1S/C15H19NO5S/c1-20-13(17)10-22-9-8-12(15(19)21-2)16-14(18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,18)
InChI Key
BDJZYNKTSKRFLS-UHFFFAOYSA-N
Formula
C15H19NO5S
SMILES
COC(=O)CSCCC(N=C(O)c1ccccc1)C(=O)OC
Molecular Weight1
325.38
Sources

Physical Properties

Property Value Unit Source
Δfgas -649.21 kJ/mol Joback Calculated Property
Δvap 96.07 kJ/mol Joback Calculated Property
logPoct/wat 1.83 Crippen Calculated Property
Pc 2032.72 kPa Joback Calculated Property
Tboil 958.94 K Joback Calculated Property
Tc 1186.60 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
=C< 1
-N= 1
>C=O (nonring) 2
-OH (alcohol) 1
=CH- (ring) 5
-S- 1
=C< (ring) 1
-CH2- 3
-CH3 2

Similar Compounds

L-Valine, N-(3-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-methylbenzoyl)-, tetradecyl ester. L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(3-methylbenzoyl)-, undecyl ester. L-Valine, N-(3-methylbenzoyl)-, dodecyl ester. l-Alanine, N-(m-toluoyl)-, methyl ester. L-Valine, N-(2-methoxybenzoyl)-, pentyl ester. L-Valine, N-(2-methoxybenzoyl)-, dodecyl ester. L-Valine, N-(2-methoxybenzoyl)-, heptyl ester. L-Valine, N-(2-methoxybenzoyl)-, decyl ester. L-Valine, N-(2-methoxybenzoyl)-, nonyl ester. L-Valine, N-(2-methoxybenzoyl)-, tetradecyl ester. L-Valine, N-(2-methoxybenzoyl)-, pentadecyl ester. L-Valine, N-(2-methoxybenzoyl)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester.

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