6-Thioxanthine

CAS Registry Number®

2002-59-7

CAS Name

6-Thioxanthine

Molecular Formula

C5H4N4OS

Molecular Mass

168.18

Cite this Page

6-Thioxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2002-59-7 (retrieved 2024-11-21) (CAS RN: 2002-59-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)

InChIKey

InChIKey=RJOXFJDOUQJOMQ-UHFFFAOYSA-N

SMILES

S=C1C2=C(NC(=O)N1)N=CN2

Canonical SMILES

O=C1NC(=S)C=2NC=NC2N1

Other Names for this Substance

  • 2H-Purin-2-one, 1,3,6,9-tetrahydro-6-thioxo-
  • Xanthine, 6-thio-
  • 2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-
  • 1,3,6,9-Tetrahydro-6-thioxo-2H-purin-2-one
  • 6-Thioxanthine

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Deleted or Replaced CAS Registry Numbers

3782-88-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration