728941-35-3
Product Name:
3-ISOBUTYL-2-MERCAPTO-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Formula:
C15H20N2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 308.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.10170561 g/mol |
| Monoisotopic Mass | 308.10170561 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 426 |
| 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 |