2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester

CAS Registry Number®

80756-85-0
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CAS Name

2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester

Molecular Formula

C13H10N4O2S3

Molecular Mass

350.44

Cite this Page

2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80756-85-0 (retrieved 2024-04-29) (CAS RN: 80756-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-130 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-

InChIKey

InChIKey=COFDRZLHVALCDU-YVLHZVERSA-N

SMILES

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

Canonical SMILES

O=C(SC1=NC=2C=CC=CC2S1)C(=NOC)C=3N=C(SC3)N

Other Names for this Substance

  • 4-Thiazoleethanethioic acid, 2-amino-α-(methoxyimino)-, S-2-benzothiazolyl ester, (αZ)-
  • 4-Thiazoleethanethioic acid, 2-amino-α-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-
  • S-(Benzothiazol-2-yl) 2-amino-α-(methoxyimino)thiazole-4-thioacetate
  • S-(Benzothiazol-2-yl) (Z)-(2-aminothiazol-4-yl)(methoxyimino)thioacetate
  • (αZ)-2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester

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Deleted or Replaced CAS Registry Numbers

1265758-33-5

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