Chemical Properties of 4-Methoxybenzoyl isothiocyanate (CAS 16778-84-0)

4-Methoxybenzoyl isothiocyanate

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InChI
InChI=1S/C9H7NO2S/c1-12-8-4-2-7(3-5-8)9(11)10-6-13/h2-5H,1H3
InChI Key
BEVJYGOHGKVXJI-UHFFFAOYSA-N
Formula
C9H7NO2S
SMILES
COc1ccc(C(=O)N=C=S)cc1
Molecular Weight1
193.22
CAS
16778-84-0
Sources

Physical Properties

Property Value Unit Source
Δfgas 35.24 kJ/mol Joback Calculated Property
Δvap 58.16 kJ/mol Joback Calculated Property
logPoct/wat 1.94 Crippen Calculated Property
Pc 3468.36 kPa Joback Calculated Property
Tboil 659.22 K Joback Calculated Property
Tc 916.43 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

p-Methoxybenzamide. 4-Methoxybenzyl isothiocyanate. Benzoyl isothiocyanate. P-trifluoromethoxybenzamide. 4-Ethoxybenzhydrazide. 1-(Isocyanatomethyl)-4-(methyloxy)benzene. N-(4-methoxybenzyl)formamide. 4-Hydroxybenzamide. 4-Methylbenzoyl isothiocyanate. Benzenemethanamine, 4-methoxy-. 3-Methylbenzoyl isothiocyanate. 4-Chlorobenzoyl isothiocyanate. Acetamide, N-[(4-methoxyphenyl)methyl]-. Benzaldehyde, 4-methoxy-. P-hydroxybenzoic acid, hydrazide.

Find more compounds similar to 4-Methoxybenzoyl isothiocyanate.

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