793678-87-2
Product Name:
5-MERCAPTO-4-(3-METHOXYPROPYL)-4H-1,2,4-TRIAZOL-3-OL
Formula:
C6H11N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 189.24 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 189.05719778 g/mol |
| Monoisotopic Mass | 189.05719778 g/mol |
| Topological Polar Surface Area | 85.7 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 197 |
| 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 |