CAS 16794-68-6

4-Methylbenzoyl isothiocyanate

Description:

4-Methylbenzoyl isothiocyanate, with the CAS number 16794-68-6, is an organic compound characterized by the presence of both a benzoyl group and an isothiocyanate functional group. It typically appears as a colorless to pale yellow liquid and has a distinctive, pungent odor. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the isothiocyanate group, which can readily react with amines and alcohols. It is often utilized in organic synthesis and as a reagent in various chemical reactions, including the preparation of thioureas and other nitrogen-containing compounds. Additionally, 4-Methylbenzoyl isothiocyanate may exhibit biological activity, making it of interest in pharmaceutical research. However, it should be handled with care due to its potential irritant properties and the need for appropriate safety measures when working with isothiocyanates. Overall, this compound serves as a valuable tool in synthetic organic chemistry and related fields.

Formula: C₉H₇NOS

InChI: InChI=1/C9H7NOS/c1-7-2-4-8(5-3-7)9(11)10-6-12/h2-5H,1H3

SMILES: Cc1ccc(cc1)C(=O)N=C=S

4-Methylbenzoyl isothiocyanate

CAS: 16794-68-6

Formula: C₉H₇NOS

Molecular weight: 177.2230

Ref: IN-DA001XPX

4-Methylbenzoyl isothiocyanate

CAS: 16794-68-6

4-Methylbenzoyl isothiocyanate

Purity: ≥95%

Molecular weight: 177.22g/mol

Ref: 54-OR322297

4-Methylbenzoyl isothiocyanate

CAS: 16794-68-6

Formula: C₉H₇NOS

Purity: 98.0%

Color and Shape: Liquid

Molecular weight: 177.22

Ref: 10-F009518