Dimethyl tetrasulfide
PubChem CID: 79828
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| Compound Synonyms | Dimethyl tetrasulfide, 5756-24-1, Tetrasulfide, dimethyl, (methyltetrasulfanyl)methane, Dimethyl tetrasulphide, dimethyltetrasulfane, 1,4-Dimethyltetrasulfane, 2,3,4,5-Tetrathiahexane, 1,4-Dimethyltetrasulfide, EINECS 227-278-8, Methyl tetrasulfide, 8CI, DTXSID0063997, Dimethyltetrasulphane, 1,4-Dimethyltetrasulfane #, SCHEMBL565279, DTXCID1042231, methyldisulfanyldisulfanyl-methane, NS00022407, Q63398078, 227-278-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CSSSSC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Sulfenyl compounds |
| Description | Constituent of various Allium subspecies and Lentinus species Dimethyl tetrasulfide is found in many foods, some of which are mushrooms, soft-necked garlic, garden onion, and shiitake. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 17.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (methyltetrasulfanyl)methane |
| Prediction Hob | 0.0 |
| Class | Sulfenyl compounds |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 1.8 |
| Superclass | Organosulfur compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C2H6S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPNIZCVKXVRCHF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -4.583 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.155 |
| Synonyms | 1,4-Dimethyltetrasulfane, 1,4-Dimethyltetrasulfide, 2,3,4,5-Tetrathiahexane, Dimethyl tetrasulphide, Methyl tetrasulfide, 8CI, Tetrasulfide, dimethyl, Methyl tetrasulfide, 8ci, Dimethyltetrasulphane, Dimethyl tetrasulfide, dimethyl tetrasulfide, dimethyl tetrasulphide, dimethyl tetrasulfide, dimethyl- tetrasulfide |
| Substituent Name | Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CSSSSC |
| Compound Name | Dimethyl tetrasulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.935 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.935 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 158.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.7513956 |
| Inchi | InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3 |
| Smiles | CSSSSC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sulfenyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Reference:https://doi.org/10.12692/ijb/4.1.372-377 - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Allium Macrostemon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cassia Grandis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700409 - 9. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1574 - 10. Outgoing r'ship
FOUND_INto/from Sauromatum Venosum (Plant) Rel Props:Reference:ISBN:9788172363093