Thioguanine

CAS Registry Number®

154-42-7
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CAS Name

Thioguanine

Molecular Formula

C5H5N5S

Molecular Mass

167.19

Cite this Page

Thioguanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154-42-7 (retrieved 2024-05-28) (CAS RN: 154-42-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >360 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChIKey

InChIKey=WYWHKKSPHMUBEB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C1N=C(N)NC=2N=CNC12

Other Names for this Substance

  • 6H-Purine-6-thione, 2-amino-1,9-dihydro-
  • 6H-Purine-6-thione, 2-amino-1,7-dihydro-
  • Purine-6(1H)-thione, 2-amino-
  • Purine-6(1H)-thione, 2,3-dihydro-2-imino-
  • Purine-6-thiol, 2-amino-

Deleted or Replaced CAS Registry Numbers

611-67-6, 1125-65-1, 1832-72-0, 5632-51-9, 153981-50-1, 158476-00-7

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