Chemical Properties of Methyl 2-isothiocyanato-4-(methylthio)butyrate (CAS 21055-47-0)

Methyl 2-isothiocyanato-4-(methylthio)butyrate

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InChI
InChI=1S/C7H11NO2S2/c1-10-7(9)6(8-5-11)3-4-12-2/h6H,3-4H2,1-2H3
InChI Key
HNBACGFGPNFPAF-UHFFFAOYSA-N
Formula
C7H11NO2S2
SMILES
COC(=O)C(CCSC)N=C=S
Molecular Weight1
205.30
CAS
21055-47-0
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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
Tboil 650.14 K Joback Calculated Property
Tc 889.72 K Joback Calculated Property

Similar Compounds

Ethyl alpha-isocyanato gamma-thiomethyl butyrate. Ethyl 2-isocyanato-4-methylthiobutyrate. L-Methionine, methyl ester. Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. Butric acid, 2-benzamido-4[(carboxymethyl)thio]-, dimethyl ester. L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. L-Homocystine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. l-Methionine, N-pivaloyl-, methyl ester. L-Homocystine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. l-Methionine, N-caproyl-, methyl ester. l-Methionine, N-(2-trifluoromethylbenzoyl)-, methyl ester. l-Methionine, N-capryloyl-, methyl ester. L-Methionine, N-chlorodifluoroacetyl-, ethyl ester.

Find more compounds similar to Methyl 2-isothiocyanato-4-(methylthio)butyrate.

Sources

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