2′-Deoxy-6-thioinosine

CAS Registry Number®

2239-64-7

CAS Name

2′-Deoxy-6-thioinosine

Molecular Formula

C10H12N4O3S

Molecular Mass

268.29

Cite this Page

2′-Deoxy-6-thioinosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2239-64-7 (retrieved 2025-01-30) (CAS RN: 2239-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184-186 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6+,7+/m0/s1

InChIKey

InChIKey=WACLJMMBCDNRJE-RRKCRQDMSA-N

SMILES

S=C1C2=C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)C3)NC=N1

Canonical SMILES

S=C1N=CNC2=C1N=CN2C3OC(CO)C(O)C3

Other Names for this Substance

  • Inosine, 2′-deoxy-6-thio-
  • 9H-Purine-6(1H)-thione, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-
  • 2′-Deoxy-6-thioinosine
  • 6-Mercaptopurine deoxyriboside
  • 6-Mercaptopurine 2′-deoxyriboside

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Deleted or Replaced CAS Registry Numbers

4594-49-4, 1194818-24-0