Benzoyl isothiocyanate

CAS Registry Number®

532-55-8

CAS Name

Benzoyl isothiocyanate

Molecular Formula

C8H5NOS

Molecular Mass

163.20

Cite this Page

Benzoyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=532-55-8 (retrieved 2025-03-29) (CAS RN: 532-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    68-70 °C @ Press: 0.06 Torr

  • Melting Point (2)

    <25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H

InChIKey

InChIKey=CPEKAXYCDKETEN-UHFFFAOYSA-N

SMILES

C(N=C=S)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(N=C=S)C=1C=CC=CC1

Other Names for this Substance

  • Benzoyl isothiocyanate
  • Benzoic acid, anhydride with isothiocyanic acid
  • Isothiocyanic acid, anhydride with benzoic acid
  • Benzoylthiocarbimide
  • N-Benzoyl isothiocyanate

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Deleted or Replaced CAS Registry Numbers

1616101-03-1

CAS INSIGHTSTM
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