16071-28-6
Product Name:
4-(METHYLTHIO)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
Formula:
C6H5N3OS
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COMPUTED DESCRIPTORS
Molecular Weight | 167.19 g/mol |
---|---|
XLogP3 | -0.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 167.01533297 g/mol |
Monoisotopic Mass | 167.01533297 g/mol |
Topological Polar Surface Area | 90.6 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 296 |
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 |