TG-2-IN-1

Chemical Information
1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride is an organic chloride salt in which the cationic component is 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium. It has a role as an EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor. It contains a 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium.
| CAS Number | 135273-74-4 |
| PubChem CID | 196876 |
| IUPAC Name | 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one chloride |
| Molecular Formula | C8H13ClN2OS |
| Molecular Weight | 220.72 |
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 164 |
| Property | Value |
|---|---|
| Molecular Weight | 220.72 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 220.0437119 |
| Monoisotopic Mass | 220.0437119 |
| Topological Polar Surface Area | 51.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 164 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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