| CAS Number | 1258651-55-6 |
| Catalog Number | AG01AB5S(AGN-PC-0WOWDG) |
| Chemical Name | 4-methyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride |
| IUPAC Name | 4-methyl-3-piperidin-3-yl-1H-1,2,4-triazole-5-thione;hydrochloride |
| InChI | InChI=1S/C8H14N4S.ClH/c1-12-7(10-11-8(12)13)6-3-2-4-9-5-6;/h6,9H,2-5H2,1H3,(H,11,13);1H |
| InChI Key | ASOGUFXCQBRARL-UHFFFAOYSA-N |
| MDL Number | MFCD17977078 |
| Molecular Formula | C8H15ClN4S |
| Molecular Weight | 234.7495 |
| SMILES | Cl.CN1C(C2CNCCC2)=NN=C1S |
| Synonyms | 4-methyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride,
1258651-55-6,
AC1Q3BMW,
AKOS026745119,
NE16240,
EN300-70558,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.746g/mol |
| Monoisotopic Mass | 234.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number