Buthiopurine

CAS Registry Number®

608-12-8

CAS Name

Buthiopurine

Molecular Formula

C10H12N4O2S

Molecular Mass

252.29

Cite this Page

Buthiopurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=608-12-8 (retrieved 2024-11-22) (CAS RN: 608-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    204-205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N4O2S/c15-7(16)3-1-2-4-17-10-8-9(12-5-11-8)13-6-14-10/h5-6H,1-4H2,(H,15,16)(H,11,12,13,14)

InChIKey

InChIKey=FWYNOXVCJSRVQV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCCSC1=NC=NC=2N=CNC21

Other Names for this Substance

  • Pentanoic acid, 5-(9H-purin-6-ylthio)-
  • Valeric acid, 5-(purin-6-ylthio)-
  • Pentanoic acid, 5-(1H-purin-6-ylthio)-
  • 5-(9H-Purin-6-ylthio)pentanoic acid
  • Buthiopurine

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