Chemical Properties of 2-Isothiocyanato-3-(methylthio)propionic acid ethyl ester

2-Isothiocyanato-3-(methylthio)propionic acid ethyl ester

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InChI
InChI=1S/C7H11NO2S2/c1-3-10-7(9)6(4-12-2)8-5-11/h6H,3-4H2,1-2H3
InChI Key
LNIKMLXQQRUFGX-UHFFFAOYSA-N
Formula
C7H11NO2S2
SMILES
CCOC(=O)C(CSC)N=C=S
Molecular Weight1
205.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -111.95 kJ/mol Joback Calculated Property
ΔvapH° 57.20 kJ/mol Joback Calculated Property
log10WS -1.54 Crippen Calculated Property
logPoct/wat 1.384 Crippen Calculated Property
McVol 151.010 ml/mol McGowan Calculated Property
Pc 3096.73 kPa Joback Calculated Property
Inp 1609.20 NIST
Tboil 650.14 K Joback Calculated Property
Tc 889.72 K Joback Calculated Property

Similar Compounds

S-Carboxymethyl-L-cysteine, N-dimethylaminomethylene, diethyl ester. S-carbethoxymethyl-L-cysteine, N-dimethylaminomethylene-, dimethyl ester. Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. Propionic acid, 2-benzamido-3,3'-thiodi-, diethyl ester. Ethyl 2-isothiocyanatopropionate. S-Methyl-L-cysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. S-Methyl-D-Cysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. cysteine, trifluoroacetyl-isopropyl ester. L-Cysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Cysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. 2-Isothiocyanato-succinic acid diethyl ester. 2-Isothiocyanato-hexanoic acid ethyl ester.

Find more compounds similar to 2-Isothiocyanato-3-(methylthio)propionic acid ethyl ester.

Sources

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