42047-33-6
Product Name:
2-(3-METHYL-5-THIOXO-1H-1,2,4-TRIAZOL-4(5H)-YL)ACETIC ACID
Formula:
C5H7N3O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 173.20 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 173.02589765 g/mol |
| Monoisotopic Mass | 173.02589765 g/mol |
| Topological Polar Surface Area | 97 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 238 |
| 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 |