Di-2-propenyl heptasulfide
PubChem CID: 53854515
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| Compound Synonyms | Di-2-propenyl heptasulfide, diallyl heptasulfide, Allyl heptasulfide, SCHEMBL389755, bis(prop-2-en-1-yl)heptasulfane, CHEBI:169612, DTXSID201019987, 3-(prop-2-enylheptasulanyl)prop-1-ene, NS00121721, 4,5,6,7,8,9,10-Heptathia-1,12-tridecadiene, 139693-24-6 |
|---|---|
| Topological Polar Surface Area | 177.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Description | Constituent of garlic Allium sativum. Antioxidant. Di-2-propenyl heptasulfide is found in garlic, soft-necked garlic, and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(prop-2-enylheptasulfanyl)prop-1-ene |
| Nih Violation | True |
| Class | Allyl sulfur compounds |
| Xlogp | 4.4 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C6H10S7 |
| Inchi Key | GSEBMLLGHBSQFW-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 4,5,6,7,8,9,10-Heptathia-1,12-tridecadiene, Allyl heptasulfide, Diallyl heptasulfide, Di-2-propenyl heptasulphide, Bis(prop-2-en-1-yl)heptasulphane |
| Compound Name | Di-2-propenyl heptasulfide |
| Kingdom | Organic compounds |
| Exact Mass | 305.883 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 305.883 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 306.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H10S7/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-6H2 |
| Smiles | C=CCSSSSSSSCC=C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Allyl sulfur compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all