4-(Methylthio)benzeneacetonitrile

CAS Registry Number®

38746-92-8

CAS Name

4-(Methylthio)benzeneacetonitrile

Molecular Formula

C9H9NS

Molecular Mass

163.24

Cite this Page

4-(Methylthio)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38746-92-8 (retrieved 2024-11-22) (CAS RN: 38746-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120.5-127.5 °C @ Press: 1 Torr

  • Melting Point (1)

    40.5-41.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

InChIKey

InChIKey=BBPATOFBGJZMJM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC1=CC=C(SC)C=C1

Other Names for this Substance

  • Benzeneacetonitrile, 4-(methylthio)-
  • Acetonitrile, [p-(methylthio)phenyl]-
  • 4-(Methylthio)benzeneacetonitrile
  • p-(Methylthio)phenylacetonitrile
  • [4-(Methylthio)phenyl]acetonitrile

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