Cas no 26001-41-2 (Inosine,1-methyl-6-thio- (9CI))

Inosine,1-methyl-6-thio- (9CI) structure
26001-41-2 structure
Product Name:Inosine,1-methyl-6-thio- (9CI)
CAS No:26001-41-2
MF:C11H14N4O4S
MW:298.318260669708
CID:286792
PubChem ID:260470
Update Time:2025-04-19

Inosine,1-methyl-6-thio- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Inosine,1-methyl-6-thio- (9CI)
    • 1-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid methylamide
    • 1-Methyl-6-pyridon-2-carbonsaeuremethylamid
    • 1-Methyl-6-pyridon-2-carbonsaeuremonomethylamid
    • 1-Methyl-6-thioinosin
    • 1-methyl-6-thio-inosine
    • 2-Pyridinecarboxamide, 1,6-dihydro-N,1-dimethyl-6-oxo-
    • CTK2E3637
    • NSC91773
    • 1-methyl-9-pentofuranosyl-1,9-dihydro-6h-purine-6-thione
    • SMR001561003
    • HMS3087A13
    • 26001-41-2
    • DTXSID90948907
    • NCIOpen2_005638
    • MLS002695091
    • NSC-91773
    • Inchi: 1S/C11H14N4O4S/c1-14-3-13-9-6(11(14)20)12-4-15(9)10-8(18)7(17)5(2-16)19-10/h3-5,7-8,10,16-18H,2H2,1H3
    • InChI Key: KAFKQYRSRIAGNP-UHFFFAOYSA-N
    • SMILES: S=C1C2=C(N=CN1C)N(C=N2)C1C(C(C(CO)O1)O)O

Computed Properties

  • Exact Mass: 298.07400
  • Monoisotopic Mass: 298.07357611g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 135?2

Experimental Properties

  • PSA: 137.65000
  • LogP: -0.88920

Inosine,1-methyl-6-thio- (9CI) Related Literature

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