| CAS Number | 1258639-70-1 |
| Catalog Number | AG01AAZ4(AGN-PC-0WOU6W) |
| Chemical Name | 5-(aminomethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride |
| IUPAC Name | 3-(aminomethyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione;hydrochloride |
| InChI | InChI=1S/C6H12N4S.ClH/c1-4(2)10-5(3-7)8-9-6(10)11;/h4H,3,7H2,1-2H3,(H,9,11);1H |
| InChI Key | OTSIDEDQKBJKMA-UHFFFAOYSA-N |
| MDL Number | MFCD17977001 |
| Molecular Formula | C6H13ClN4S |
| Molecular Weight | 208.7122 |
| SMILES | Cl.CC(N1C(CN)=NN=C1S)C |
| Synonyms | 5-(aminomethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride,
1258639-70-1,
AC1Q393I,
AKOS026743623,
NE16228,
EN300-69973,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.708g/mol |
| Monoisotopic Mass | 208.055g/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