6-(Hexylthio)-9H-purine

CAS Registry Number®

37109-78-7
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CAS Name

6-(Hexylthio)-9H-purine

Molecular Formula

C11H16N4S

Molecular Mass

236.34

Cite this Page

6-(Hexylthio)-9H-purine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=37109-78-7 (retrieved 2024-04-28) (CAS RN: 37109-78-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98-99 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H16N4S/c1-2-3-4-5-6-16-11-9-10(13-7-12-9)14-8-15-11/h7-8H,2-6H2,1H3,(H,12,13,14,15)

InChIKey

InChIKey=DPEYVWBFEYXFIT-UHFFFAOYSA-N

SMILES

S(CCCCCC)C1=C2C(N=CN2)=NC=N1

Canonical SMILES

N1=CN=C(SCCCCCC)C=2NC=NC12

Other Names for this Substance

  • 9H-Purine, 6-(hexylthio)-
  • 1H-Purine, 6-(hexylthio)-
  • Purine, 6-(hexylthio)-
  • 6-(Hexylthio)-9H-purine
  • 6-Hexylmercaptopurine

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