Chemical Properties of 3-Acetylphenylisothiocyanate (CAS 3125-71-1)

3-Acetylphenylisothiocyanate

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InChI
InChI=1S/C9H7NOS/c1-7(11)8-3-2-4-9(5-8)10-6-12/h2-5H,1H3
InChI Key
RGANVWCPAAIVNN-UHFFFAOYSA-N
Formula
C9H7NOS
SMILES
CC(=O)c1cccc(N=C=S)c1
Molecular Weight1
177.22
CAS
3125-71-1
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 2.62 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
>C=O (nonring) 1
-N= 1
=CH- (ring) 4
=C< (ring) 2
-S- 1
-CH3 1

Similar Compounds

3-Isocyanatoacetophenone. 3-Ethylphenyl isothiocyanate. 3-Aminoacetophenone. 4-Acetylphenylisothiocyanate. Benzoic acid, 3-isothiocyanato-. 3-Ethylphenyl isocyanate. 1-(3-Aminophenyl)-1-butanone. 3-Methoxycarbonylphenyl isothiocyanate. M-tolyl isothiocyanate. 3-Nitroacetophenone. 3,5-Dimethylphenyl isothiocyanate. 4-Isocyanatoacetophenone. 3-Ethoxycarbonylphenyl isothiocyanate. 3-Cyanophenyl isothiocyanate. 3,4-Xylyl isothiocyanate.

Find more compounds similar to 3-Acetylphenylisothiocyanate.

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