| CAS Number | 2060044-60-0 |
| Catalog Number | AG01BVCN |
| Chemical Name | IMINO(METHYL)(1-METHYL-1H-IMIDAZOL-2-YL)-LAMBDA6-SULFANONE |
| IUPAC Name | imino-methyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfane |
| InChI | InChI=1S/C5H9N3OS/c1-8-4-3-7-5(8)10(2,6)9/h3-4,6H,1-2H3 |
| InChI Key | RUVHBSQYGHZHHQ-UHFFFAOYSA-N |
| MDL Number | MFCD30345466 |
| Molecular Formula | C5H9N3OS |
| Molecular Weight | 159.2095 |
| SMILES | CN1C(=NC=C1)S(=O)(=N)C |
| Synonyms | imino(methyl)(1-methyl-1H-imidazol-2-yl)-lambda6-sulfanone,
2060044-60-0,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.207g/mol |
| Monoisotopic Mass | 159.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number