2-Thioxanthine

CAS Registry Number®

2487-40-3

CAS Name

2-Thioxanthine

Molecular Formula

C5H4N4OS

Molecular Mass

168.18

Cite this Page

2-Thioxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2487-40-3 (retrieved 2024-11-21) (CAS RN: 2487-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >360 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XNHFAGRBSMMFKL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1NC(=S)NC=2N=CNC12

Other Names for this Substance

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

View All

Deleted or Replaced CAS Registry Numbers

69-90-9, 3240-64-0, 5167-21-5, 6050-40-4

CAS INSIGHTSTM
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