Chemical Properties of 3,4-Dimethoxybenzyl isothiocyanate (CAS 14596-50-0)

3,4-Dimethoxybenzyl isothiocyanate

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InChI
InChI=1S/C10H11NO2S/c1-12-9-4-3-8(6-11-7-14)5-10(9)13-2/h3-5H,6H2,1-2H3
InChI Key
MTKPIGBIMQONMN-UHFFFAOYSA-N
Formula
C10H11NO2S
SMILES
COc1ccc(CN=C=S)cc1OC
Molecular Weight1
209.26
CAS
14596-50-0
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Physical Properties

Property Value Unit Source
Δfgas -16.51 kJ/mol Joback Calculated Property
Δvap 56.71 kJ/mol Joback Calculated Property
log10WS -2.94 Crippen Calculated Property
logPoct/wat 2.307 Crippen Calculated Property
McVol 157.470 ml/mol McGowan Calculated Property
Pc 2802.44 kPa Joback Calculated Property
Tboil 655.63 K Joback Calculated Property
Tc 897.88 K Joback Calculated Property

Similar Compounds

3,4-Methylenedioxybenzyl isothiocyanate. 3-Methoxybenzylisothiocyanate. 3,4-Dimethoxybenzylamine. 2,3-Dimethoxybenzyl isothiocyanate. 4-Methoxybenzyl isothiocyanate. 1,3-Benzodioxol, 5-(acetylaminomethyl). Piperonylamine. 3,4-Dimethoxytoluene. N-(3-Methoxybenzyl)acetamide. 1-(Isocyanatomethyl)-4-(methyloxy)benzene. 3-Methoxybenzylamine. N-(4-methoxybenzyl)formamide. Benzeneacetonitrile, 3,4-dimethoxy-. Creosol. Benzenemethanol, 3,4-dimethoxy-.

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

Sources

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