Cimetidine Sulfoxide-d3
Chemical Information
Cimetidine S-oxide is a sulfoxide. It is functionally related to a cimetidine.
| CAS Number | 54237-72-8 |
| PubChem CID | 62949 |
| IUPAC Name | 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine |
| Molecular Formula | C10H16N6OS |
| Molecular Weight | 268.34 |
| XLogP | -1.1 |
| Topological Polar Surface Area | 125 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 363 |
| Property | Value |
|---|---|
| Molecular Weight | 268.34 |
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 268.11063033 |
| Monoisotopic Mass | 268.11063033 |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 363 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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