21358-15-6
Product Name:
4-ALLYL-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C12H13N3OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 247.32 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 247.07793322 g/mol |
| Monoisotopic Mass | 247.07793322 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 324 |
| 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 |