2-Propenyl tetrasulfide
PubChem CID: 85670385
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| Compound Synonyms | allylhydro tetrasulfide, 2-Propenyl tetrasulfide |
|---|---|
| Topological Polar Surface Area | 76.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | 2-propenyl tetrasulfide is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. 2-propenyl tetrasulfide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-propenyl tetrasulfide can be found in soft-necked garlic, which makes 2-propenyl tetrasulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.2 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(tetrasulfanyl)prop-1-ene |
| Nih Violation | True |
| Class | Allyl sulfur compounds |
| Xlogp | 2.5 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C3H6S4 |
| Inchi Key | LLONXRPRSDJBOF-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | Allylhydro tetrasulphide, 2-Propenyl tetrasulphide |
| Compound Name | 2-Propenyl tetrasulfide |
| Kingdom | Organic compounds |
| Exact Mass | 169.935 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 169.935 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.3 |
| 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/C3H6S4/c1-2-3-5-7-6-4/h2,4H,1,3H2 |
| Smiles | C=CCSSSS |
| 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