S-2-Benzothiazolyl (αZ)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate

CAS Registry Number®

89604-91-1
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CAS Name

S-2-Benzothiazolyl (αZ)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate

Molecular Formula

C12H9N5O2S3

Molecular Mass

351.43

Cite this Page

S-2-Benzothiazolyl (αZ)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89604-91-1 (retrieved 2024-08-22) (CAS RN: 89604-91-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H9N5O2S3/c1-19-16-8(9-15-11(13)22-17-9)10(18)21-12-14-6-4-2-3-5-7(6)20-12/h2-5H,1H3,(H2,13,15,17)/b16-8-

InChIKey

InChIKey=XJESSAAEFWMELV-PXNMLYILSA-N

SMILES

S(C(/C(=N\OC)/C1=NSC(N)=N1)=O)C2=NC=3C(S2)=CC=CC3

Canonical SMILES

O=C(SC1=NC=2C=CC=CC2S1)C(=NOC)C3=NSC(=N3)N

Other Names for this Substance

  • 1,2,4-Thiadiazole-3-ethanethioic acid, 5-amino-α-(methoxyimino)-, S-2-benzothiazolyl ester, (αZ)-
  • 1,2,4-Thiadiazole-3-ethanethioic acid, 5-amino-α-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-
  • S-2-Benzothiazolyl (αZ)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate