| CAS Number | 919467-05-3 |
| Catalog Number | AG019WPR(AGN-PC-0WO7WB) |
| Chemical Name | 3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanoic acid |
| IUPAC Name | 3-(1-methylimidazol-2-yl)sulfanylpropanoic acid |
| InChI | InChI=1S/C7H10N2O2S/c1-9-4-3-8-7(9)12-5-2-6(10)11/h3-4H,2,5H2,1H3,(H,10,11) |
| InChI Key | JKKIPPPFLUDUCK-UHFFFAOYSA-N |
| MDL Number | MFCD09738265 |
| Molecular Formula | C7H10N2O2S |
| Molecular Weight | 186.2315 |
| SMILES | CN1C(SCCC(O)=O)=NC=C1 |
| Synonyms | 3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanoic acid,
919467-05-3,
3-(1-methyl-1H-imidazol-2-ylthio)propanoic acid,
CHEMBL599191,
SCHEMBL3049323,
CTK7J4644,
JKKIPPPFLUDUCK-UHFFFAOYSA-N,
ZINC7344345,
AKOS000145644,
MCULE-7347013980,
NE56115,
EN300-52761,
AB01004591-01,
AC1Q3YZY,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.046299g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.23g/mol |
| Monoisotopic Mass | 186.046299g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number