Chemical Properties of 3,4-Dimethoxyphenethyl isothiocyanate (CAS 21714-25-0)

3,4-Dimethoxyphenethyl isothiocyanate

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InChI
InChI=1S/C11H13NO2S/c1-13-10-4-3-9(5-6-12-8-15)7-11(10)14-2/h3-4,7H,5-6H2,1-2H3
InChI Key
GHYFLDWHIVKQLS-UHFFFAOYSA-N
Formula
C11H13NO2S
SMILES
COc1ccc(CCN=C=S)cc1OC
Molecular Weight1
223.29
CAS
21714-25-0
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Physical Properties

Property Value Unit Source
ω 0.5906 Relay (... Calculated Property
ΔfG° 106.24 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -38.03 kJ/mol Relay (... Calculated Property
ΔvapH° 88.18 kJ/mol Relay (... Calculated Property
IE 7.92 eV Relay (... Calculated Property
log10WS -3.59 Relay (... Calculated Property
logPoct/wat 2.349 Crippen Calculated Property
McVol 171.560 ml/mol McGowan Calculated Property
Pc 2537.93 kPa Joback Calculated Property
Tboil 588.75 K Relay (... Calculated Property
Tc 802.85 K Relay (... Calculated Property
Tfus 335.65 K Relay (... Calculated Property
Vc 0.601 m3/kmol Relay (... Calculated Property

Similar Compounds

Benzeneethanamine, 3,4-dimethoxy-. Dopamine, N,N-dimethyl-, dimethyl ether. Phenol, 4-(2-aminoethyl)-2-methoxy-. 4-Ethoxy-3-methoxyphenethylamine. 3-Ethoxy-4-methoxyphenethylamine. 3-Methoxytyramine, di-TFA. Benzene, 4-ethyl-1,2-dimethoxy-. 3,4-Dimethoxyphenylethylamine, N,N-di(acetyl)-. Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-. Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-. Homarylamine. Carbonic acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-methylpropyl ester. 3,4-Dimethoxyphenylethylamine, N-trifluoroacetyl-. Benzeneethanamine, 3,4,5-trimethoxy-. Ethylamine, 3,4,5-trimethoxyphen-, hydrochloride.

Find more compounds similar to 3,4-Dimethoxyphenethyl isothiocyanate.

Sources

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