| CAS Number | 57083-87-1 |
| Catalog Number | AG01BHWY |
| Chemical Name | 5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine |
| IUPAC Name | 5-propan-2-yl-1,2,4-thiadiazol-3-amine |
| InChI | InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3,(H2,6,8) |
| InChI Key | QGXXNRYSKCUSPR-UHFFFAOYSA-N |
| MDL Number | MFCD19206083 |
| Molecular Formula | C5H9N3S |
| Molecular Weight | 143.2101 |
| SMILES | CC(C1SN=C(N)N=1)C |
| Synonyms | 5-(propan-2-yl)-1,2,4-thiadiazol-3-amine,
57083-87-1,
ZINC70651520,
AKOS006362250,
|
| Complexity | 96.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.208g/mol |
| Monoisotopic Mass | 143.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number