Chemical Properties of 4-Methylbenzoyl isothiocyanate (CAS 16794-68-6)

4-Methylbenzoyl isothiocyanate

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InChI
InChI=1S/C9H7NOS/c1-7-2-4-8(5-3-7)9(11)10-6-12/h2-5H,1H3
InChI Key
RZCAJUGXEPHWJY-UHFFFAOYSA-N
Formula
C9H7NOS
SMILES
Cc1ccc(C(=O)N=C=S)cc1
Molecular Weight1
177.22
CAS
16794-68-6
Sources

Physical Properties

Property Value Unit Source
Δfgas 167.46 kJ/mol Joback Calculated Property
Δvap 55.75 kJ/mol Joback Calculated Property
logPoct/wat 2.24 Crippen Calculated Property
Pc 3538.87 kPa Joback Calculated Property
Tboil 636.80 K Joback Calculated Property
Tc 898.72 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoyl isothiocyanate. 3-Methylbenzoyl isothiocyanate. 4-Chlorobenzoyl isothiocyanate. Benzamide, 4-methyl-. Methanone, 1-phenyl-1-isocyanato-. Terephthalamide. 3-Chlorobenzoyl isothiocyanate. P-methylbenzyl isothiocyanate. 2-Methylbenzoyl isothiocyanate. 4-Methoxybenzoyl isothiocyanate. Benzoic acid, 4-methyl-, hydrazide. Terephthalic dihydrazide. N-methyl-p-toluamide. 2-Chlorobenzoyl isothiocyanate. Benzamide.

Find more compounds similar to 4-Methylbenzoyl isothiocyanate.

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