Chemical Properties of 3,4-Xylyl isothiocyanate (CAS 19241-17-9)

3,4-Xylyl isothiocyanate

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InChI
InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3
InChI Key
JFSHJWKBNJMGOK-UHFFFAOYSA-N
Formula
C9H9NS
SMILES
Cc1ccc(N=C=S)cc1C
Molecular Weight1
163.24
CAS
19241-17-9
Sources

Physical Properties

Property Value Unit Source
Δfgas 268.57 kJ/mol Joback Calculated Property
Δvap 49.67 kJ/mol Joback Calculated Property
logPoct/wat 3.04 Crippen Calculated Property
Pc 3231.98 kPa Joback Calculated Property
Tboil 587.91 K Joback Calculated Property
Tc 844.05 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
-N= 1
=CH- (ring) 3
=C< (ring) 3
-S- 1
-CH3 2

Similar Compounds

M-tolyl isothiocyanate. 3,5-Dimethylphenyl isothiocyanate. 2,4,5-Trimethylphenyl isothiocyanate. 2,3-Dimethylphenylisothiocyanate. 3-Cyanophenyl isothiocyanate. Benzene, 1-isothiocyanato-4-methyl-. 2,5-Dimethylphenyl isothiocyanate. 3-Ethylphenyl isothiocyanate. Benzenamine, 3,4-dimethyl-. P-vinylphenyl isothiocyanate. 2,4-Dimethylphenyl isothiocyanate. 4,5-Dimethyl-ortho-phenylenediamine. 3,5-Dimethylphenyl isocyanate. 4-Ethylphenyl isothiocyanate. 2,4,6-Trimethylphenyl isothiocyanate.

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

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