| CAS Number | 1311314-29-0 |
| Catalog Number | AG01AH64(AGN-PC-0WO0P6) |
| Chemical Name | 2-{[(1H-imidazol-2-yl)methyl]sulfanyl}acetic acid hydrochloride |
| IUPAC Name | 2-(1H-imidazol-2-ylmethylsulfanyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2S.ClH/c9-6(10)4-11-3-5-7-1-2-8-5;/h1-2H,3-4H2,(H,7,8)(H,9,10);1H |
| InChI Key | VZQGBHMDZKIFCG-UHFFFAOYSA-N |
| MDL Number | MFCD18483218 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | Cl.OC(CSCC1NC=CN=1)=O |
| Synonyms | 2-[(1H-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride,
1311314-29-0,
AKOS026726290,
MCULE-2957999026,
NE48618,
EN300-73809,
Z1273089252,
2-{[(1H-imidazol-2-yl)methyl]sulfanyl}acetic acid hydrochloride,
|
| Complexity | 143 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number