Diallyl hexasulfide
PubChem CID: 9882013
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| Compound Synonyms | diallyl hexasulfide, Hexasulfide, di-2-propenyl, 137443-18-6, Di-2-propenyl hexasulfide, Diallylhexasulfid, Allyl hexasulfide, K3WZ3A4Q5U, Di-2-propen-1-yl hexasulfide, SCHEMBL2987869, Hexasulfide, di-2-propen-1-yl, DTXSID20432324, BIS(PROP-2-EN-1-YL)HEXASULFANE, 4,5,6,7,8,9-Hexathia-1,11-dodecadiene, NS00125145 |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Constituent of garlic (Allium sativum). Antioxidant. Di-2-propenyl hexasulfide is found in garlic, soft-necked garlic, and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(prop-2-enylhexasulfanyl)prop-1-ene |
| Nih Violation | True |
| Class | Allyl sulfur compounds |
| Xlogp | 4.0 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C6H10S6 |
| Inchi Key | RUEMHHSAZHTSOK-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 4,5,6,7,8,9-Hexathia-1,11-dodecadiene, Allyl hexasulfide, Diallyl hexasulfide, Di-2-propenyl hexasulphide, Bis(prop-2-en-1-yl)hexasulphane |
| Compound Name | Diallyl hexasulfide |
| Kingdom | Organic compounds |
| Exact Mass | 273.911 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 273.911 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 274.5 |
| 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/C6H10S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-6H2 |
| Smiles | C=CCSSSSSSCC=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