Hexa-1,5-dienyl trisulfide
PubChem CID: 157009856
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| Compound Synonyms | Hexa-1,5-dienyl trisulfide |
|---|---|
| Topological Polar Surface Area | 51.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | UHZPAMDDFODOJH-AATRIKPKSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 9.0 |
| Compound Name | Hexa-1,5-dienyl trisulfide |
| Description | Hexa-1,5-dienyl trisulfide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Hexa-1,5-dienyl trisulfide can be found in soft-necked garlic, which makes hexa-1,5-dienyl trisulfide a potential biomarker for the consumption of this food product. |
| Exact Mass | 177.994 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.994 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.3 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1E)-1-(trisulfanyl)hexa-1,5-diene |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+ |
| Smiles | C=CCC/C=C/SSS |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C6H10S3 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all