| CAS Number | 1258639-66-5 |
| Catalog Number | AG01AB36(AGN-PC-0WOS21) |
| Chemical Name | 5-(2-Aminoethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol hydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-4-ethyl-1H-1,2,4-triazole-5-thione;hydrochloride |
| InChI | InChI=1S/C6H12N4S.ClH/c1-2-10-5(3-4-7)8-9-6(10)11;/h2-4,7H2,1H3,(H,9,11);1H |
| InChI Key | IIHJCCPGNJRZBU-UHFFFAOYSA-N |
| MDL Number | MFCD17977048 |
| Molecular Formula | C6H13ClN4S |
| Molecular Weight | 208.7122 |
| SMILES | Cl.CCN1C(CCN)=NN=C1S |
| Synonyms | 5-(2-aminoethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol hydrochloride,
1258639-66-5,
AC1Q39T3,
AKOS026742168,
NE16236,
EN300-70333,
|
| Complexity | 189 |
| 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 | 3 |
| Topological Polar Surface Area | 85.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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