Dipropyl disulfide
PubChem CID: 12377
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| Compound Synonyms | Dipropyl disulfide, Propyl disulfide, 629-19-6, Disulfide, dipropyl, n-Propyl disulfide, Di-n-propyl disulfide, 1-(Propyldisulfanyl)propane, 4,5-DITHIAOCTANE, Dipropyl disulphide, Propyldithiopropane, 1,2-dipropyldisulfane, 1,1'-dithiodipropane, FEMA No. 3228, NSC 75122, MFCD00009378, DTXSID2022096, I7K169J70F, NSC-75122, propyldisulfide, Di-n-propyldisulfide, EINECS 211-079-8, UNII-I7K169J70F, AI3-37201, n-propyldisulfide, n-Propyl-disulfide, 1-propyldisulfanyl-propane, Dipropyl disulfide, 98%, 1,1'-disulfanediyldipropane, SCHEMBL113363, DTXCID302096, PROPYL DISULFIDE [FHFI], (n-C3H7S)2, CHEBI:45758, FEMA 3228, Propyl disulfide, >=97%, FG, NSC75122, Tox21_301499, NSC797350, FEMA NO. 4577, DIPROPYL-, AKOS015897437, HY-W196803, NSC-797350, NCGC00255274-01, AS-56755, CAS-629-19-6, DB-054332, CS-0259501, D0932, NS00021270, C08373, E79213, EN300-7352631, A834090, Q1227317, InChI=1/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCSSCCC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic disulfides |
| Description | Constituent of garlic, onion and other Allium subspecies Also present in raw cabbage, roast beef and roasted peanuts. Flavouring agent. Dipropyl disulfide is found in many foods, some of which are garden onion, onion-family vegetables, brassicas, and allium (onion). |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 31.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(propyldisulfanyl)propane |
| Prediction Hob | 1.0 |
| Class | Organic disulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.7 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALVPFGSHPUPROW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -3.925 |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Logd | 3.515 |
| Synonyms | 1,1'-Dithiodipropane, 4,5-Dithiaoctane, Di-n-propyl disulfide, Di-N-propyl disulphide, Dipropyl disulphide, Disulfide, dipropyl, FEMA 3228, N-propyl disulfide, N-Propyl disulphide, Propyl disulfide, Propyl disulphide, Propyldithiopropane, Di-N-propyl disulfide, N-Propyl disulfide, dipropyl disulfid, dipropyl disulfide, dipropyl disulphide, dipropyl disulfide, dipropyl-disulfide, propyl disulfide, di |
| Esol Class | Soluble |
| Functional Groups | CSSC |
| Compound Name | Dipropyl disulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.054 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.3 |
| 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 | -2.1429343999999997 |
| Inchi | InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
| Smiles | CCCSSCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyldisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15030224 - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Reference:ISBN:9788185042138 - 4. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1093/jme/tjv016 - 7. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Azadirachta Indica (Plant) Rel Props:Reference:ISBN:9780896038776 - 10. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Ferula Asafoetida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Petiveria Alliacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all