Chemical Properties of Methyl 2-isothiocyanato-3-phenylpropionate (CAS 68521-58-4)

Methyl 2-isothiocyanato-3-phenylpropionate

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InChI
InChI=1S/C11H11NO2S/c1-14-11(13)10(12-8-15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChI Key
XIAZBEQOUOVUEY-UHFFFAOYSA-N
Formula
C11H11NO2S
SMILES
COC(=O)C(Cc1ccccc1)N=C=S
Molecular Weight1
221.28
CAS
68521-58-4
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Physical Properties

Property Value Unit Source
ΔfH°gas 0.15 kJ/mol Joback Calculated Property
ΔvapH° 61.56 kJ/mol Joback Calculated Property
log10WS -2.44 Crippen Calculated Property
logPoct/wat 1.873 Crippen Calculated Property
McVol 167.260 ml/mol McGowan Calculated Property
Pc 2868.87 kPa Joback Calculated Property
Tboil 699.56 K Joback Calculated Property
Tc 949.56 K Joback Calculated Property

Similar Compounds

2-Isothiocyanato-3-phenyl-propionic acid ethyl ester. DL-Phenylalanine, N-dimethylaminomethylene-, methyl ester. Phenylalanine-N-carboxylic acid dimethyl ester. p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, methyl ester. L-Phenylalanine, N-acetyl-, methyl ester. DL-Phenylalanine, N-dimethylaminomethylene-, ethyl ester. D-p-Chlorophenylalanine, N-dimethylaminomethylene-, methyl ester. p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, ethyl ester. 4-Benzyl-2,5-oxazolidinedione. D-p-Chlorophenylalanine, N-dimethylaminomethylene-, ethyl ester. DL-Phenylalanine, N-dimethylaminomethylene-, butyl ester. l-Phenylalanine, N-(m-toluoyl)-, methyl ester. D-p-Chlorophenylalanine, N-dimethylaminomethylene-, butyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. L-Tyrosine, N,O-bis(pivaloyl)-, methyl ester.

Find more compounds similar to Methyl 2-isothiocyanato-3-phenylpropionate.

Sources

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