| CAS Number | 116956-03-7 |
| Catalog Number | AG00J39M |
| Chemical Name | 2-((1-Methyl-1H-imidazol-2-yl)thio)acetic acid hydrochloride |
| IUPAC Name | 2-(1-methylimidazol-2-yl)sulfanylacetic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2S.ClH/c1-8-3-2-7-6(8)11-4-5(9)10;/h2-3H,4H2,1H3,(H,9,10);1H |
| InChI Key | LOGHREANCCEGLE-UHFFFAOYSA-N |
| MDL Number | MFCD28168092 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | CN1C=CN=C1SCC(=O)O.Cl |
| Synonyms | [(1-Methyl-1H-imidazol-2-yl)thio]acetic acid hydrochloride,
116956-03-7,
SCHEMBL7423557,
ZX-CM014105,
MFCD28168092,
4091231-25G,
71370-42-8,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number