Cas no 207729-57-5 (6H-Purine-6-thione,1,2,3,9-tetrahydro-, hydrochloride (1:1))

6H-Purine-6-thione,1,2,3,9-tetrahydro-, hydrochloride (1:1) structure
207729-57-5 structure
Product Name:6H-Purine-6-thione,1,2,3,9-tetrahydro-, hydrochloride (1:1)
CAS No:207729-57-5
MF:C5H5ClN4S
MW:188.63799738884
CID:241902
PubChem ID:12358754
Update Time:2025-04-19

6H-Purine-6-thione,1,2,3,9-tetrahydro-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 6H-Purine-6-thione,1,2,3,9-tetrahydro-, hydrochloride (1:1)
    • 3,7-dihydropurine-6-thione,hydrochloride
    • 6-MERCAPTOPURINE HYDROCHLORIDE
    • 1,7-Dihydro-6H-purine-6-thione monohydrochloride
    • M-2700
    • 7H-Purine-6-thiol hydrochloride
    • 7H-Purine-6-thiolhydrochloride
    • 207729-57-5
    • SCHEMBL18264092
    • 3,7-Dihydro-6H-purine-6-thione--hydrogen chloride (1/1)
    • 6H-Purine-6-thione, 1,7-dihydro-, monohydrochloride
    • DTXSID80493911
    • 3,7-dihydropurine-6-thione;hydrochloride
    • 3H-PURINE-6-THIOL HYDROCHLORIDE
    • Inchi: 1S/C5H4N4S.ClH/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H
    • InChI Key: LFPWMCUGKCRTHV-UHFFFAOYSA-N
    • SMILES: Cl.S=C1C2=C(N=CN2)NC=N1

Computed Properties

  • Exact Mass: 187.99200
  • Monoisotopic Mass: 187.9923450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 190
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 85.2?2

Experimental Properties

  • PSA: 93.26000
  • LogP: 1.44360

6H-Purine-6-thione,1,2,3,9-tetrahydro-, hydrochloride (1:1) Pricemore >>

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