23711-26-4
Product Name:
5-(4-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol
Formula:
C12H14ClN3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 267.78 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 267.0596963 g/mol |
| Monoisotopic Mass | 267.0596963 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 322 |
| 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 |