Cas no 132562-26-6 (2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)-)

2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)- structure
132562-26-6 structure
Product Name:2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)-
CAS No:132562-26-6
MF:C12H16N2OS2
MW:268.398240089417
CID:222585
PubChem ID:3034038
Update Time:2025-04-19

2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)-
    • (1R,2R)-N-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
    • (R)-N-Methyl-2-(3-pyridinyl)-3,4,5,6-tetrahydro-2H-thiopyran-2-carbothioamide 1-oxide
    • 2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R-trans)-
    • Aprikalim
    • RP 52891
    • RP-52891
    • Unii-374bh4kvrg
    • (R)-2α-(Methylthiocarbamoyl)-1-oxylato-2-(3-pyridyl)hexahydrothiopyrylium
    • Aprikalim [INN]
    • RP -52891
    • (2R)-N-Methyl-2-(pyridin-3-yl)tetrahydro-2H-thiopyran-2-carbothioamide 1-oxide
    • SCHEMBL4259442
    • (1R,2R)-N-Methyl-2-(pyridin-3-yl)tetrahydro-2H-thiopyran-2-carbothioamide 1-oxide
    • (2R)-N-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
    • 132562-26-6
    • Aprikalimum
    • 2125831-34-5
    • 374BH4KVRG
    • 2H-Thiopyran-2-carbothioamide, tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)-rel
    • N-Methyl-2-(3-pyridyl)tetrahydrothiopyran-2-carbothioamide-1-oxide
    • RP 49356
    • Aprikalimum [INN-Latin]
    • (-)-(1R,2R)-Tetrahydro-N-methyl-2-(3-pyridyl)thio-2H-thiopyran-2-carboxamide 1-oxide
    • AKOS040746584
    • Rel-(1R,2R)-N-methyl-2-(pyridin-3-yl)tetrahydro-2H-thiopyran-2-carbothioamide 1-oxide
    • 2H-Thiopyran-2-carbothioamide, tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide
    • Inchi： 1S/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17?/m1/s1
    • InChI Key： GKEMHVLBZNVZOI-MTATWXBHSA-N
    • SMILES： S1(CCCC[C@]1(C(NC)=S)C1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 268.07
  • Monoisotopic Mass: 268.07
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 322
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 93.3?2

Experimental Properties

  • PSA: 100.33000
  • LogP: 3.03330

2H-Thiopyran-2-carbothioamide,tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide, (1R,2R)- Related Literature

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