| CAS Number | 1354959-71-9 |
| Catalog Number | AG00JT0B(AGN-PC-0WO61B) |
| Chemical Name | 1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine |
| IUPAC Name | 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole |
| InChI | InChI=1S/C8H14N4S/c1-2-7-10-8(13-11-7)12-5-3-9-4-6-12/h9H,2-6H2,1H3 |
| InChI Key | XWASAOJLRJWZHK-UHFFFAOYSA-N |
| MDL Number | MFCD11847086 |
| Molecular Formula | C8H14N4S |
| Molecular Weight | 198.2886 |
| SMILES | CCC1N=C(N2CCNCC2)SN=1 |
| Synonyms | 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine,
1354959-71-9,
3-ETHYL-5-(PIPERAZIN-1-YL)-1,2,4-THIADIAZOLE,
KS-00001KU0,
ZINC71790742,
AKOS014315888,
MCULE-7811527586,
NE27516,
SC-31497,
Z1270630931,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.093918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.29g/mol |
| Monoisotopic Mass | 198.093918g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number