6-Nitro-2(3H)-benzothiazolethione

CAS Registry Number®

4845-58-3
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CAS Name

6-Nitro-2(3H)-benzothiazolethione

Molecular Formula

C7H4N2O2S2

Molecular Mass

212.25

Cite this Page

6-Nitro-2(3H)-benzothiazolethione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4845-58-3 (retrieved 2024-06-23) (CAS RN: 4845-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4N2O2S2/c10-9(11)4-1-2-5-6(3-4)13-7(12)8-5/h1-3H,(H,8,12)

InChIKey

InChIKey=QPOZGXKWWKLJDK-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(=CC1)NC(=S)S2

Canonical SMILES

O=N(=O)C1=CC=C2NC(=S)SC2=C1

Other Names for this Substance

  • 2(3H)-Benzothiazolethione, 6-nitro-
  • 2-Benzothiazolinethione, 6-nitro-
  • 2-Benzothiazolethiol, 6-nitro-
  • Benzothiazole, 2-mercapto-6-nitro-
  • 6-Nitro-2(3H)-benzothiazolethione

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Deleted or Replaced CAS Registry Numbers

29519-08-2

CAS INSIGHTSTM
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