| CAS Number | 1158449-20-7 |
| Catalog Number | AG01AB1R |
| Chemical Name | 4-cyclopropyl-5-(piperidin-4-yl)-4H-1,2,4-triazole-3-thiol hydrochloride |
| IUPAC Name | 4-cyclopropyl-3-piperidin-4-yl-1H-1,2,4-triazole-5-thione;hydrochloride |
| InChI | InChI=1S/C10H16N4S.ClH/c15-10-13-12-9(14(10)8-1-2-8)7-3-5-11-6-4-7;/h7-8,11H,1-6H2,(H,13,15);1H |
| InChI Key | QAGYIZGOMPYJBI-UHFFFAOYSA-N |
| MDL Number | MFCD15200708 |
| Molecular Formula | C10H17ClN4S |
| Molecular Weight | 260.7868 |
| SMILES | Cl.SC1N(C2CC2)C(C2CCNCC2)=NN=1 |
| Synonyms | 4-cyclopropyl-5-(piperidin-4-yl)-4H-1,2,4-triazole-3-thiol hydrochloride,
1158449-20-7,
AC1Q3FCC,
NE17775,
EN300-70212,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.784g/mol |
| Monoisotopic Mass | 260.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number