3-(9H-Purin-6-ylthio)propanoic acid

CAS Registry Number®

608-10-6

CAS Name

3-(9H-Purin-6-ylthio)propanoic acid

Molecular Formula

C8H8N4O2S

Molecular Mass

224.24

Cite this Page

3-(9H-Purin-6-ylthio)propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=608-10-6 (retrieved 2024-11-22) (CAS RN: 608-10-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233-234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H8N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)

InChIKey

InChIKey=CSOKIZRBAMNJDO-UHFFFAOYSA-N

SMILES

S(CCC(O)=O)C1=C2C(N=CN2)=NC=N1

Canonical SMILES

O=C(O)CCSC1=NC=NC=2N=CNC21

Other Names for this Substance

  • Propanoic acid, 3-(9H-purin-6-ylthio)-
  • Propionic acid, 3-(purinylthio)-
  • Propanoic acid, 3-(1H-purin-6-ylthio)-
  • Propionic acid, 3-(purin-6-ylthio)-
  • 3-(9H-Purin-6-ylthio)propanoic acid

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