Chemical Properties of 2-Methylbenzoyl isothiocyanate (CAS 28115-85-7)

2-Methylbenzoyl isothiocyanate

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InChI
InChI=1S/C9H7NOS/c1-7-4-2-3-5-8(7)9(11)10-6-12/h2-5H,1H3
InChI Key
RBNGRYSMNUHYCW-UHFFFAOYSA-N
Formula
C9H7NOS
SMILES
Cc1ccccc1C(=O)N=C=S
Molecular Weight1
177.22
CAS
28115-85-7
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Physical Properties

Property Value Unit Source
Δfgas 167.46 kJ/mol Joback Calculated Property
Δvap 55.75 kJ/mol Joback Calculated Property
log10WS -3.04 Crippen Calculated Property
logPoct/wat 2.238 Crippen Calculated Property
McVol 133.210 ml/mol McGowan Calculated Property
Pc 3538.87 kPa Joback Calculated Property
Tboil 636.80 K Joback Calculated Property
Tc 898.72 K Joback Calculated Property

Similar Compounds

Benzamide, 2-methyl-. 3-Methylbenzoyl isothiocyanate. 2-Methylbenzyl isothiocyanate. 2,3-Dimethylbenzamide. 2-Toluic hydrazide. 4-Methylbenzoyl isothiocyanate. Benzaldehyde, 2-methyl-. 3,4-Dimethylbenzamide. m-Toluamide. Benzamide, N,N,3-trimethyl-. 3,4-Dimethylbenzyl isothiocyanate. Benzamide, N-(4-fluorophenyl)-2-methyl-. Benzamide, N-(4-bromophenyl)-2-methyl-. Sarcosine, N-(2-methylbenzoyl)-, ethyl ester. Benzaldehyde, 2,4-dimethyl-.

Find more compounds similar to 2-Methylbenzoyl isothiocyanate.

Sources

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