2,3-Dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide
PubChem CID: 85447654
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,3-Dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | 2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide is a member of the class of compounds known as thiolanes. Thiolanes are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. 2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide can be found in garden onion, which makes 2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexane |
| Nih Violation | False |
| Class | Thiolanes |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C6H10S2 |
| Inchi Key | YKHZXLJBTAIXHG-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-DIMETHYL-5,6-DITHIA-BICYCLO(2,2,1)HEXANE-5-OXIDE |
| Compound Name | 2,3-Dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide |
| Kingdom | Organic compounds |
| Exact Mass | 146.022 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 146.022 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C6H10S2/c1-3-4(2)6-7-5(3)8-6/h3-6H,1-2H3 |
| Smiles | CC1C(C2SC1S2)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Thiolanes |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all