| CAS Number | 1803585-96-7 |
| Catalog Number | AG01B8GL |
| Chemical Name | 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]butanoic acid hydrochloride |
| IUPAC Name | 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid;hydrochloride |
| InChI | InChI=1S/C6H10N4O2S.ClH/c1-2-3(4(11)12)13-6-8-5(7)9-10-6;/h3H,2H2,1H3,(H,11,12)(H3,7,8,9,10);1H |
| InChI Key | GUIYGQWTLQOEHT-UHFFFAOYSA-N |
| MDL Number | MFCD28246505 |
| Molecular Formula | C6H11ClN4O2S |
| Molecular Weight | 238.6951 |
| SMILES | Cl.CCC(C(O)=O)SC1NN=C(N)N=1 |
| Synonyms | 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]butanoic acid hydrochloride,
1803585-96-7,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.69g/mol |
| Monoisotopic Mass | 238.029g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number