338786-78-0
Product Name:
4-METHYL-5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Formula:
C8H12N6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 224.29 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.08441558 g/mol |
| Monoisotopic Mass | 224.08441558 g/mol |
| Topological Polar Surface Area | 90.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 312 |
| 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 |