92151-02-5
Product Name:
5-(2,4-Dichlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Formula:
C14H9Cl2N3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 37.8 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.2 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 320.9894239 g/mol |
| Monoisotopic Mass | 320.9894239 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 409 |
| 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 |