6-(Phenylthio)-9H-purine

CAS Registry Number®

5450-35-1

CAS Name

6-(Phenylthio)-9H-purine

Molecular Formula

C11H8N4S

Molecular Mass

228.27

Cite this Page

6-(Phenylthio)-9H-purine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5450-35-1 (retrieved 2024-11-25) (CAS RN: 5450-35-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244-245 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H8N4S/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H,12,13,14,15)

InChIKey

InChIKey=CTDPZFBZKUUAED-UHFFFAOYSA-N

SMILES

S(C1=C2C(N=CN2)=NC=N1)C3=CC=CC=C3

Canonical SMILES

N1=CN=C(SC=2C=CC=CC2)C=3NC=NC13

Other Names for this Substance

  • 9H-Purine, 6-(phenylthio)-
  • Purine, 6-(phenylthio)-
  • 1H-Purine, 6-(phenylthio)-
  • 6-(Phenylthio)-9H-purine
  • NSC 15746

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