2-Mercapto-3-methylbenzonitrile

CAS Registry Number®

939970-68-0

CAS Name

2-Mercapto-3-methylbenzonitrile

Molecular Formula

C8H7NS

Molecular Mass

149.21

Cite this Page

2-Mercapto-3-methylbenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=939970-68-0 (retrieved 2024-11-26) (CAS RN: 939970-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    50-51 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NS/c1-6-3-2-4-7(5-9)8(6)10/h2-4,10H,1H3

InChIKey

InChIKey=VMPHWIOWOVYWKZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1S)C

Other Names for this Substance

  • Benzonitrile, 2-mercapto-3-methyl-
  • 2-Mercapto-3-methylbenzonitrile
  • 3-Methyl-2-sulfanylbenzonitrile

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