| CAS Number | 139601-75-5 |
| Catalog Number | AG01AD4C(AGN-PC-0POM8R) |
| Chemical Name | 5-(2-Aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride |
| IUPAC Name | 5-(2-aminoethyl)-3H-1,3,4-oxadiazole-2-thione;hydrochloride |
| InChI | InChI=1S/C4H7N3OS.ClH/c5-2-1-3-6-7-4(9)8-3;/h1-2,5H2,(H,7,9);1H |
| InChI Key | XNBZIJXJRABXJX-UHFFFAOYSA-N |
| MDL Number | MFCD11109606 |
| Molecular Formula | C4H8ClN3OS |
| Molecular Weight | 181.6438 |
| SMILES | Cl.NCCC1OC(=S)NN=1 |
| Synonyms | 5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride,
139601-75-5,
5-(2-aminoethyl)-1,3,4-oxadiazole-2-thiol hydrochloride,
CHEMBL456782,
CTK7E7630,
AKOS024124109,
AKOS026728730,
MCULE-7907509545,
NE23429,
Z1737940672,
5-(2-AMINOETHYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE HYDROCHLORIDE,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.638g/mol |
| Monoisotopic Mass | 181.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number