6-(Butylthio)-9H-purine

CAS Registry Number®

5069-82-9
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CAS Name

6-(Butylthio)-9H-purine

Molecular Formula

C9H12N4S

Molecular Mass

208.28

Cite this Page

6-(Butylthio)-9H-purine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5069-82-9 (retrieved 2024-04-29) (CAS RN: 5069-82-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150-151 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12N4S/c1-2-3-4-14-9-7-8(11-5-10-7)12-6-13-9/h5-6H,2-4H2,1H3,(H,10,11,12,13)

InChIKey

InChIKey=VSDRAVPZXXXJDG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 9H-Purine, 6-(butylthio)-
  • Purine, 6-(butylthio)-
  • 1H-Purine, 6-(butylthio)-
  • 6-(Butylthio)-9H-purine
  • 6-n-Butylmercaptopurine

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