Chemical Properties of 3,4-Methylenedioxybenzyl isothiocyanate (CAS 4430-47-1)

3,4-Methylenedioxybenzyl isothiocyanate

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InChI
InChI=1S/C9H7NO2S/c13-5-10-4-7-1-2-8-9(3-7)12-6-11-8/h1-3H,4,6H2
InChI Key
PUJWRDBPAFJUJW-UHFFFAOYSA-N
Formula
C9H7NO2S
SMILES
S=C=NCc1ccc2c(c1)OCO2
Molecular Weight1
193.22
CAS
4430-47-1
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Physical Properties

Property Value Unit Source
Δfgas 97.71 kJ/mol Joback Calculated Property
Δvap 58.91 kJ/mol Joback Calculated Property
log10WS -2.91 Crippen Calculated Property
logPoct/wat 2.018 Crippen Calculated Property
McVol 132.520 ml/mol McGowan Calculated Property
Pc 3838.78 kPa Joback Calculated Property
Tboil 653.22 K Joback Calculated Property
Tc 919.76 K Joback Calculated Property

Similar Compounds

3,4-Dimethoxybenzyl isothiocyanate. Piperonylamine. 1,3-Benzodioxol, 5-(acetylaminomethyl). 3,4-(Methylenedioxy)toluene. 3-Methoxybenzylisothiocyanate. 3,4-Dimethoxybenzylamine. Piperonylamine, n-methyl-n-2-propynyl-. 2,3-Dimethoxybenzyl isothiocyanate. 3,4-Methylenedioxyphenylacetonitrile. 3,4-Methylenedioxybenzyl chloride. Piperonyl alcohol. Piperonal. 3,4-Methylenedioxyphenyl acetone. 3,4-Methylenedioxybenzyl acetate. 1,3-Benzodioxole, 5-propyl-.

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

Sources

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