| CAS Number | 1803598-72-2 |
| Catalog Number | AG01B9KO |
| Chemical Name | sodium 2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetate |
| IUPAC Name | sodium;2-(1-benzylimidazol-2-yl)sulfanylacetate |
| InChI | InChI=1S/C12H12N2O2S.Na/c15-11(16)9-17-12-13-6-7-14(12)8-10-4-2-1-3-5-10;/h1-7H,8-9H2,(H,15,16);/q;+1/p-1 |
| InChI Key | PMGCLABMQPQWGE-UHFFFAOYSA-M |
| MDL Number | MFCD28383903 |
| Molecular Formula | C12H11N2NaO2S |
| Molecular Weight | 270.2827 |
| SMILES | [Na+].[O-]C(CSC1N(CC2=CC=CC=C2)C=CN=1)=O |
| Synonyms | sodium 2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetate,
1803598-72-2,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.282g/mol |
| Monoisotopic Mass | 270.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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