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1037-29-2

1037-29-2 structural image
Product Name: ThiaMine Acetate
Formula: C14H20Cl2N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 379.3 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 378.0684025 g/mol
Monoisotopic Mass 378.0684025 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 358
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes