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Homecas57052-04-7

57052-04-7

57052-04-7 structural image
Product Name: ISOMETHIOZIN
Formula: C12H20N4OS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1948 1953

COMPUTED DESCRIPTORS

Molecular Weight 268.38 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 268.13578245 g/mol
Monoisotopic Mass 268.13578245 g/mol
Topological Polar Surface Area 82.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 418
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes