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Diallyl Tetrasulfide

PubChem CID: 75552

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Compound Synonyms Diallyl tetrasulfide, Diallyl tetrasulphide, 2444-49-7, Tetrasulfide, di-2-propenyl, 3-(prop-2-enyltetrasulfanyl)prop-1-ene, Diallyltetrasulfide, allyl tetrasulfide, Dially tetrasulfide, WRP12IW1D7, EINECS 219-485-7, Di-2-propenyl tetrasulfide, TETRASULFIDE, DIALLYL, BIS(PROP-2-EN-1-YL)TETRASULFANE, DTXSID70179196, FEMA NO. 3533, TETRASULFIDE, UNII-WRP12IW1D7, Diallyltetrasulfane, Di-allyl-tetrasulfide, 1,4-Diallyltetrasulfane, Allyl tetrasulfide, 8CI, 1,4-Diallyltetrasulfane #, SCHEMBL389609, CHEMBL1947232, DTXCID00101687, 3-(allyltetrasulfanyl)prop-1-ene, CHEBI:177763, HY-N9515, NSC750226, 4,5,6,7-Tetrathia-1,9-decadiene, AKOS040755018, NSC-750226, 3-(prop-2-enyltetrasulanyl)prop-1-ene, AS-86450, DB-254396, CS-0182809, NS00047724, Q27292795, 219-485-7
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 101.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Deep Smiles C=CCSSSSCC=C
Heavy Atom Count 10.0
Classyfire Class Allyl sulfur compounds
Description Isolated from garlic oil (Allium sativum). Di-2-propenyl tetrasulfide is found in garlic, soft-necked garlic, and onion-family vegetables.
Isotope Atom Count 0.0
Molecular Complexity 79.7
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-(prop-2-enyltetrasulfanyl)prop-1-ene
Prediction Hob 1.0
Class Sulfenyl compounds
Veber Rule True
Classyfire Superclass Organosulfur compounds
Xlogp 3.1
Superclass Organosulfur compounds
Gsk 4 400 Rule False
Molecular Formula C6H10S4
Prediction Swissadme 0.0
Inchi Key RMKCQUWJDRTEHE-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.3333333333333333
Rotatable Bond Count 7.0
Synonyms 1,4-Diallyltetrasulfane, 4,5,6,7-Tetrathia-1,9-decadiene, Allyl tetrasulfide, 8CI, DATS, Dially tetrasulfide, Diallyl tetrasulfide, Diallyl tetrasulphide, Tetrasulfide, di-2-propenyl, Di-2-propenyl tetrasulphide, Diallyltetrasulfide, Allyl tetrasulfide, 8ci, Bis(prop-2-en-1-yl)tetrasulphane, di-2-propenyl tetrasulfide, diallyl tetrasulfide, diallyl tetrasulphide, diallyl tetrasulfide, tetrasulfide,di-2-propenyl
Substituent Name Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound
Esol Class Soluble
Functional Groups C=CC, CSSSSC
Compound Name Diallyl Tetrasulfide
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 209.967
Formal Charge 0.0
Monoisotopic Mass 209.967
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 210.4
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 -2.6229668
Inchi InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
Smiles C=CCSSSSCC=C
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Allyl sulfur compounds

  • 1. Outgoing r'ship FOUND_IN to/from Allium Ascalonicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662606
  • 2. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1111/1750-3841.12118
  • 4. Outgoing r'ship FOUND_IN to/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643483
  • 6. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Carya Illinoinensis (Plant) Rel Props:Source_db:npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Mansoa Alliacea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1051
  • 14. Outgoing r'ship FOUND_IN to/from Petiveria Alliacea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1051
  • 15. Outgoing r'ship FOUND_IN to/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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