Methyl 2-propenyl pentasulfide
PubChem CID: 528713
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| Compound Synonyms | Methyl 2-propenyl pentasulfide, methyl allyl pentasulfide, 3-(methylpentasulfanyl)prop-1-ene, 4PLB8N7XQE, 118023-99-7, Methyl 2-propen-1-yl pentasulfide, UNII-4PLB8N7XQE, Pentasulfide, methyl 2-propenyl, Allyl methyl pentasulfide, SCHEMBL2928674, DTXSID40336052, 3-(methylpentasulanyl)prop-1-ene, BFVOYECMMKLFQJ-UHFFFAOYSA-N, CHEBI:173614, 1-METHYL-5-(PROP-2-EN-1-YL)PENTASULFANE |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Isolated from garlic oil. Methyl 2-propenyl pentasulfide is found in onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(methylpentasulfanyl)prop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C4H8S5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BFVOYECMMKLFQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.037 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.55 |
| Synonyms | Allyl methyl pentasulfide, Methyl 2-propenyl tetrasulfide |
| Compound Name | Methyl 2-propenyl pentasulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 215.923 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.923 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 216.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5940466000000004 |
| Inchi | InChI=1S/C4H8S5/c1-3-4-6-8-9-7-5-2/h3H,1,4H2,2H3 |
| Smiles | CSSSSSCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients