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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight193.22238 [g/mol]
    Molecular FormulaC9H7NO2S
    XLogP2.1
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count0
    Tautomer Count3
    Exact Mass193.019749
    MonoIsotopic Mass193.019749
    Topological Polar Surface Area38.7
    Heavy Atom Count13
    Formal Charge0
    Complexity264
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 6-methyl-2-sulfanyl-1,3-benzoxazin-4-one
    Canonical SMILES: CC1=CC2=C(C=C1)OC(=NC2=O)S
    InChI: InChI=1/C9H7NO2S/c1-5-2-3-7-6(4-5)8(11)10-9(13)12-7/h2-4H,1H3,(H,10,11,
    13)/f/h13H



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