Adenine sulfate

CAS Registry Number®

321-30-2
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CAS Name

Adenine sulfate

Molecular Formula

C5H5N5.1/2H2O4S

Cite this Page

Adenine sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=321-30-2 (retrieved 2021-10-20) (CAS RN: 321-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >285 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H5N5.H2O4S/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)

InChIKey

InChIKey=JCVRUTWJRIKTOS-UHFFFAOYSA-N

SMILES

NC1=C2C(=NC=N1)N=CN2.S(=O)(=O)(O)O

Canonical SMILES

O=S(=O)(O)O.N1=CN=C(N)C=2NC=NC12

Other Names for this Substance

  • 9H-Purin-6-amine, sulfate (2:1)
  • 1H-Purin-6-amine, sulfate (2:1)
  • Adenine, sulfate (2:1)
  • Adenine sulfate
  • Adenine hemisulfate

Deleted or Replaced CAS Registry Numbers

98537-53-2