Dimethyl hexasulfide
PubChem CID: 10149128
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| Compound Synonyms | dimethyl hexasulfide, 22015-54-9, Hexasulfide, dimethyl, DTXSID30436156 |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Dimethyl hexasulfide is a member of the class of compounds known as sulfenyl compounds. Sulfenyl compounds are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Dimethyl hexasulfide can be found in soft-necked garlic, which makes dimethyl hexasulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 31.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (methylhexasulfanyl)methane |
| Nih Violation | True |
| Class | Sulfenyl compounds |
| Xlogp | 2.7 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C2H6S6 |
| Inchi Key | IFPVWYIKESOXEL-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Hexasulphide, dimethyl, Dimethyl hexasulphide |
| Compound Name | Dimethyl hexasulfide |
| Kingdom | Organic compounds |
| Exact Mass | 221.879 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 221.879 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 222.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C2H6S6/c1-3-5-7-8-6-4-2/h1-2H3 |
| Smiles | CSSSSSSC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sulfenyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all