2-[4-[2-(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-7-benzothiazolesulfonic acid

CAS Registry Number®

37936-41-7
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CAS Name

2-[4-[2-(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-7-benzothiazolesulfonic acid

Molecular Formula

C18H13N5O6S2

Molecular Mass

459.46

Cite this Page

2-[4-[2-(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-7-benzothiazolesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37936-41-7 (retrieved 2024-05-18) (CAS RN: 37936-41-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H13N5O6S2/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26)

InChIKey

InChIKey=APIDSQKETXQPQW-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C(N=C(S2)C3=CC=C(N=NC4C(=O)NC(=O)NC4=O)C=C3)=CC=C1C

Canonical SMILES

O=C1NC(=O)C(N=NC2=CC=C(C=C2)C3=NC=4C=CC(=C(C4S3)S(=O)(=O)O)C)C(=O)N1

Other Names for this Substance

  • 7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-
  • 7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-
  • 2-[4-[2-(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-7-benzothiazolesulfonic acid

Deleted or Replaced CAS Registry Numbers

110553-25-8, 151863-98-8

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