306936-78-7
Product Name:
5-MERCAPTO-4-(2-METHYLBUTYL)-4H-1,2,4-TRIAZOL-3-OL
Formula:
C7H13N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 187.27 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 187.07793322 g/mol |
| Monoisotopic Mass | 187.07793322 g/mol |
| Topological Polar Surface Area | 76.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 207 |
| 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 |