2-Benzothiazoleacetonitrile

CAS Registry Number®

56278-50-3

CAS Name

2-Benzothiazoleacetonitrile

Molecular Formula

C9H6N2S

Molecular Mass

174.22

Cite this Page

2-Benzothiazoleacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56278-50-3 (retrieved 2024-11-25) (CAS RN: 56278-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98-100 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2

InChIKey

InChIKey=ZMZSYUSDGRJZNT-UHFFFAOYSA-N

SMILES

C(C#N)C1=NC=2C(S1)=CC=CC2

Canonical SMILES

N#CCC1=NC=2C=CC=CC2S1

Other Names for this Substance

  • 2-Benzothiazoleacetonitrile
  • 2-(Cyanomethyl)benzothiazole
  • 2-Benzothiazolylacetonitrile
  • NSC 379416
  • 1,3-Benzothiazol-2-ylacetonitrile

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