Chemical Properties of 2-Methoxybenzyl isothiocyanate (CAS 17608-09-2)

2-Methoxybenzyl isothiocyanate

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InChI
InChI=1S/C9H9NOS/c1-11-9-5-3-2-4-8(9)6-10-7-12/h2-5H,6H2,1H3
InChI Key
HUYOVUYNRGOCLZ-UHFFFAOYSA-N
Formula
C9H9NOS
SMILES
COc1ccccc1CN=C=S
Molecular Weight1
179.24
CAS
17608-09-2
Sources

Physical Properties

Property Value Unit Source
Δfgas 147.82 kJ/mol Joback Calculated Property
Δvap 51.42 kJ/mol Joback Calculated Property
logPoct/wat 2.30 Crippen Calculated Property
Pc 3224.64 kPa Joback Calculated Property
Tboil 605.35 K Joback Calculated Property
Tc 856.17 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C= 1
-N= 1
=CH- (ring) 4
-CH2- 1
=C< (ring) 2
-S- 1
-CH3 1

Similar Compounds

2-Methoxybenzylamine. 2,3-Dimethoxybenzyl isothiocyanate. o-Ethoxybenzylamine. N-methyl-o-methoxybenzylamine. 2,6-Dimethoxybenzylamine. 4-Methoxybenzyl isothiocyanate. 2-Anisamide. 3-Methoxybenzylisothiocyanate. Benzenemethanamine, 2,3-dimethoxy-. Ethenzamide. N-methyl-n-propargyl-o-methoxybenzylamine. 2-Methoxybenzhydrazide. Benzene, 1-methoxy-2-methyl-. 4-Methoxybenzoyl isothiocyanate. N-(4-methoxybenzyl)formamide.

Find more compounds similar to 2-Methoxybenzyl isothiocyanate.

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