| CAS Number | 1271738-67-0 |
| Catalog Number | AG01AFJJ(AGN-PC-0WO8ON) |
| Chemical Name | 1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride |
| IUPAC Name | 2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole;hydrochloride |
| InChI | InChI=1S/C7H9F3N4S.ClH/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14;/h11H,1-4H2;1H |
| InChI Key | ZVLRNJRFSRXQLO-UHFFFAOYSA-N |
| MDL Number | MFCD27500907 |
| Molecular Formula | C7H10ClF3N4S |
| Molecular Weight | 274.6943 |
| SMILES | Cl.FC(C1SC(N2CCNCC2)=NN=1)(F)F |
| Synonyms | 1271738-67-0,
2-(Piperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole hydrochloride,
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride,
AKOS024464942,
NE32771,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.69g/mol |
| Monoisotopic Mass | 274.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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