| CAS Number | 158636-97-6 |
| Catalog Number | AG01E2FJ(AGN-PC-0WP0O3) |
| Chemical Name | 2-(3-(tert-Butylamino)-2-hydroxypropyl)-4-morpholino-1,2,5-thiadiazol-3(2H)-one (>90%) |
| IUPAC Name | 2-[3-(tert-butylamino)-2-hydroxypropyl]-4-morpholin-4-yl-1,2,5-thiadiazol-3-one |
| InChI | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-17-12(19)11(15-21-17)16-4-6-20-7-5-16/h10,14,18H,4-9H2,1-3H3 |
| InChI Key | NRTPOFNBMLVPDO-UHFFFAOYSA-N |
| Molecular Formula | C13H24N4O3S |
| Molecular Weight | 316.4197 |
| SMILES | CC(C)(C)NCC(O)CN1SN=C(N2CCOCC2)C1=O |
| Synonyms | Timolol maleate impurity H [EP],
158636-97-6,
1,2,5-Thiadiazol-3(2H)-one, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)-4-(4-morpholinyl)-,
2-((2RS)-3-((1,1-Dimethylethyl)amino)-2-hydroxypropyl)-4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2H)-one,
UNII-UR1ME7XC9B,
UR1ME7XC9B,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.42g/mol |
| Monoisotopic Mass | 316.157g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number