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Dipropyl trisulfide

PubChem CID: 22383

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Compound Synonyms Dipropyl trisulfide, 6028-61-1, 1,3-Dipropyltrisulfane, Trisulfide, dipropyl, Dipropyl trisulphide, PROPYL TRISULFIDE, 1-(propyltrisulfanyl)propane, Di-n-propyl trisulfide, dipropyltrisulfane, FEMA No. 3276, CCRIS 3264, EINECS 227-903-4, UNII-U4529NM2C1, BRN 1736293, 4,5,6-Trithianonane, DTXSID5047401, FEMA 3276, DIPROPYL TRISULFIDE [FHFI], U4529NM2C1, FEMA NO. 4042, DIPROPYL-, Dipropyltrisulfide, Dipropyltrisulphane, MFCD00040074, 1,3-Dipropyltrisulfane #, 1-(propyltrisulanyl)propane, SCHEMBL564543, Dipropyl trisulfide, AldrichCPR, CHEMBL3222023, DTXCID3027401, 1-propylsulfanyldisulfanyl-propane, CHEBI:173865, Dipropyl trisulfide, >=95%, FG, NSC798036, AKOS006272331, NSC-798036, AS-14722, DB-003634, D5750, NS00009127, D95313, Q27290661
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 75.9
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty alcohols
Deep Smiles CCCSSSCCC
Heavy Atom Count 9.0
Classyfire Class Organic trisulfides
Description Component of onion oil. Flavouring ingredient. Dipropyl trisulfide is found in garden onion and onion-family vegetables.
Isotope Atom Count 0.0
Molecular Complexity 41.6
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(propyltrisulfanyl)propane
Prediction Hob 1.0
Class Organic trisulfides
Veber Rule True
Classyfire Superclass Organosulfur compounds
Xlogp 3.1
Superclass Organosulfur compounds
Gsk 4 400 Rule True
Molecular Formula C6H14S3
Prediction Swissadme 0.0
Inchi Key GAZXPZNJTZIGBO-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Rotatable Bond Count 6.0
Synonyms 1,3-Dipropyltrisulfane, 4,5,6-Trithianonane, Di-n-propyl trisulfide, Dipropyl trisulphide, FEMA 3276, Propyl trisulfide, Trisulfide, dipropyl, Di-N-propyl trisulfide, Dipropyltrisulphane, Dipropyl trisulfide, dipropyl trisulfide, dipropyl trisulfide, dipropyl-trisulfide, propyl trisulfide,di
Esol Class Soluble
Functional Groups CSSSC
Compound Name Dipropyl trisulfide
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 182.026
Formal Charge 0.0
Monoisotopic Mass 182.026
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 182.4
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 -2.5529498000000004
Inchi InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
Smiles CCCSSSCCC
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Organic trisulfides
Np Classifier Superclass Fatty acyls

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  • 2. Outgoing r'ship FOUND_IN to/from Allium Angulosum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Allium Ascalonicum (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Allium Azureum (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Allium Carolinianum (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034
  • 8. Outgoing r'ship FOUND_IN to/from Allium Consanguineum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Allium Fistulosum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Allium Hookeri (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Allium Humile (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Allium Macleanii (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Allium Macrostemon (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Allium Monspessulanum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Allium Neapolitanum (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Allium Nutans (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Allium Przewalskianum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Allium Rhabdotum (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Allium Rosenorum (Plant) Rel Props:Reference:
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  • 21. Outgoing r'ship FOUND_IN to/from Allium Schoenoprasum (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Allium Stipitatum (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Allium Stracheyi (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1093/jme/tjv016
  • 25. Outgoing r'ship FOUND_IN to/from Allium Ursinum (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Allium Victorialis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21162628
  • 27. Outgoing r'ship FOUND_IN to/from Allium Wallichii (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Azadirachta Indica (Plant) Rel Props:Reference:ISBN:9780896038776
  • 29. Outgoing r'ship FOUND_IN to/from Cepa Alba (Plant) Rel Props:Reference:
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