3-(Methylthio)phenyl isocyanate

CAS Registry Number®

28479-19-8
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CAS Name

3-(Methylthio)phenyl isocyanate

Molecular Formula

C8H7NOS

Molecular Mass

165.21

Cite this Page

3-(Methylthio)phenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28479-19-8 (retrieved 2024-09-08) (CAS RN: 28479-19-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120-121.5 °C @ Press: 10 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NOS/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

InChIKey

InChIKey=BKJABLMNBSVKCV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=CC(SC)=C1

Other Names for this Substance

  • Benzene, 1-isocyanato-3-(methylthio)-
  • Isocyanic acid, m-(methylthio)phenyl ester
  • 1-Isocyanato-3-(methylthio)benzene
  • m-(Methylthio)phenyl isocyanate
  • 3-(Methylthio)phenyl isocyanate

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