Thymoquinone (Standard)

Chemical Information
Thymoquinone is a member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. It has a role as an antioxidant, an antidepressant, an antineoplastic agent, an adjuvant, an anti-inflammatory agent, a plant metabolite and a cardioprotective agent.
| CAS Number | 490-91-5 |
| PubChem CID | 10281 |
| IUPAC Name | 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| XLogP | 2 |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 293 |
| Property | Value |
|---|---|
| Molecular Weight | 164.20 |
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 293 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
Related Products
Alternative Products
| Catalog | Name |
|---|---|
| FT09858-01 | Thymoquinone |
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