790232-38-1
Product Name:
5-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Formula:
C15H21N3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 307.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 307.11769003 g/mol |
| Monoisotopic Mass | 307.11769003 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 441 |
| 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 |