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95211-46-4

95211-46-4 structural image
Product Name: 2,7-dimethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula: C12H14N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 234.32 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 234.08268425 g/mol
Monoisotopic Mass 234.08268425 g/mol
Topological Polar Surface Area 69.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 355
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes