Allyl methyl tetrasulfide
PubChem CID: 525329
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| Compound Synonyms | allyl methyl tetrasulfide, 3-(methyltetrasulfanyl)prop-1-ene, 90195-83-8, Methyl 2-propenyl tetrasulfide, 1-methyl-4-(prop-2-en-1-yl)tetrasulfane, DTXSID10335471, Methyl 2-propenyl tetrasulphide, SCHEMBL2931131, DTXCID60286560, 3-(methyltetrasulanyl)prop-1-ene, CHEBI:184594, 1-Methyl-4-(prop-2-en-1-yl)tetrasulphane, NS00120393 |
|---|---|
| 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 | C=CCSSSSC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Allyl sulfur compounds |
| Description | Isolated from garlic oil. Methyl 2-propenyl tetrasulfide is found in onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(methyltetrasulfanyl)prop-1-ene |
| Prediction Hob | 1.0 |
| Class | Allyl sulfur compounds |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.4 |
| Superclass | Organosulfur compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHIKXWJMZCALEK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -4.781 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 2.503 |
| Synonyms | Allyl methyl tetrasulfide, Methyl 2-propenyl tetrasulphide, 11,12,13,22-Tetrahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-2,5,17,20-tetraoxatetracyclo[16.3.1.0⁴,⁹.0¹⁰,¹⁵]docosa-10,12,14-triene-8-carboxylate, Amlaate, 1-Methyl-4-(prop-2-en-1-yl)tetrasulphane, allyl methyl tetrasulfide, allyl methyl tetrasulfide |
| Esol Class | Soluble |
| Functional Groups | C=CC, CSSSSC |
| Compound Name | Allyl methyl tetrasulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.951 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.951 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.4 |
| 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 | -2.1840312 |
| Inchi | InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3 |
| Smiles | CSSSSCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Allyl sulfur compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Macrostemon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1093/jme/tjv016 - 5. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all