345987-96-4
Product Name:
5-ADAMANTAN-1-YL-4-ALLYL-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C15H21N3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 7.3 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 275.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.14561886 g/mol |
| Monoisotopic Mass | 275.14561886 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 427 |
| 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 |