| CAS Number | 1258649-60-3 |
| Catalog Number | AG01AAR7(AGN-PC-0WOTRC) |
| Chemical Name | 5-(aminomethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol hydrochloride |
| IUPAC Name | 3-(aminomethyl)-4-ethyl-1H-1,2,4-triazole-5-thione;hydrochloride |
| InChI | InChI=1S/C5H10N4S.ClH/c1-2-9-4(3-6)7-8-5(9)10;/h2-3,6H2,1H3,(H,8,10);1H |
| InChI Key | HQMJYSZKFVENTC-UHFFFAOYSA-N |
| MDL Number | MFCD17480395 |
| Molecular Formula | C5H11ClN4S |
| Molecular Weight | 194.6856 |
| SMILES | Cl.CCN1C(CN)=NN=C1S |
| Synonyms | 5-(aminomethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol hydrochloride,
1258649-60-3,
AC1Q39T4,
AKOS026743335,
NE17811,
EN300-69356,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.681g/mol |
| Monoisotopic Mass | 194.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number