Title: Benzoyl Isothiocyanate

CAS Registry Number: 532-55-8

Additional Names: Benzoylthiocarbimide

Molecular Formula: C8H5NOS

Molecular Weight: 163.20

Percent Composition: C 58.88%, H 3.09%, N 8.58%, O 9.80%, S 19.65%

Line Formula: C6H5CONCS

Literature References: Prepd by refluxing a mixture of KSCN and benzoyl chloride in benzene at 110-120°: Ambelang, Johnson, J. Am. Chem. Soc. 61, 632 (1939). From NH3SCN, acetone and benzoyl chloride: Frank, Smith, Org. Synth. 28, 89 (1948).

Properties: Liquid; bp18 133-137°; bp10 119°. d418.3 1.2142; d416 1.197. nD18.3 1.6382. Reacts with a primary or secondary amine to form a benzoylthiourea, which is readily hydrolyzed by alkalies to the free thiourea.

Boiling point: bp18 133-137°; bp10 119°

Index of refraction: nD18.3 1.6382

Density: d418.3 1.2142; d416 1.197