3-Methyl-2,1-benzisothiazole

CAS Registry Number®

20712-09-8

CAS Name

3-Methyl-2,1-benzisothiazole

Molecular Formula

C8H7NS

Molecular Mass

149.21

Cite this Page

3-Methyl-2,1-benzisothiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20712-09-8 (retrieved 2025-01-07) (CAS RN: 20712-09-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    60-65 °C @ Press: 0.1 Torr

  • Melting Point (1)

    51-54 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YJRLOOVPHLBHIZ-UHFFFAOYSA-N

SMILES

CC1=C2C(C=CC=C2)=NS1

Canonical SMILES

N=1SC(=C2C=CC=CC12)C

Other Names for this Substance

  • 2,1-Benzisothiazole, 3-methyl-
  • 3-Methyl-2,1-benzisothiazole
  • 3-Methyl-2,1-benzothiazole

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