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7130-83-8

7130-83-8 structural image
Product Name: Isothiazolo[4,3-d]pyrimidine (8CI,9CI)
Formula: C5H3N3S
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COMPUTED DESCRIPTORS

Molecular Weight 137.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 137.00476828 g/mol
Monoisotopic Mass 137.00476828 g/mol
Topological Polar Surface Area 66.9 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 108
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 1
Compound Is Canonicalized Yes