Isothiazole

CAS Registry Number®

288-16-4

CAS Name

Isothiazole

Molecular Formula

C3H3NS

Molecular Mass

85.13

Cite this Page

Isothiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=288-16-4 (retrieved 2025-03-30) (CAS RN: 288-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    111-112 °C @ Press: 700 Torr

  • Melting Point (2)

    176 °C (decomp)

  • Density (3)

    1.1706 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H

InChIKey

InChIKey=ZLTPDFXIESTBQG-UHFFFAOYSA-N

SMILES

C=1C=NSC1

Canonical SMILES

N=1SC=CC1

Other Names for this Substance

  • Isothiazole
  • 1,2-Thiazole
  • 2-Azathiophene

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