3-(2-Benzothiazolylthio)-1-propanesulfonic acid

CAS Registry Number®

4720-61-0
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CAS Name

3-(2-Benzothiazolylthio)-1-propanesulfonic acid

Molecular Formula

C10H11NO3S3

Molecular Mass

289.39

Cite this Page

3-(2-Benzothiazolylthio)-1-propanesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4720-61-0 (retrieved 2024-05-16) (CAS RN: 4720-61-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)

InChIKey

InChIKey=XBNHRNFODJOFRU-UHFFFAOYSA-N

SMILES

S(CCCS(=O)(=O)O)C1=NC=2C(S1)=CC=CC2

Canonical SMILES

O=S(=O)(O)CCCSC1=NC=2C=CC=CC2S1

Other Names for this Substance

  • 1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-
  • 3-(2-Benzothiazolylthio)-1-propanesulfonic acid
  • 3-(2-Benzothiazolylthio)propanesulfonic acid
  • 3-(1,3-Benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

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