3-Methyl-1-(3-phenyl-2-propynoyl)piperidine
PubChem CID: 5352689
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| Compound Synonyms | Methylpropenyl tetrasulfide, JVAMVFJAZPOUHO-ONEGZZNKSA-N, methyl trans-1-propenyl tetrasulfide, 3-Methyl-1-(3-phenyl-2-propynoyl)piperidine |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Methylpropenyl tetrasulfide can be found in soft-necked garlic, which makes methylpropenyl tetrasulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(methyltetrasulfanyl)prop-1-ene |
| Nih Violation | True |
| Class | Sulfenyl compounds |
| Xlogp | 2.5 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C4H8S4 |
| Inchi Key | JVAMVFJAZPOUHO-ONEGZZNKSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-Methyl-4-[(1E)-prop-1-en-1-yl]tetrasulphane, Methylpropenyl tetrasulphide |
| Compound Name | 3-Methyl-1-(3-phenyl-2-propynoyl)piperidine |
| Kingdom | Organic compounds |
| Exact Mass | 183.951 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 183.951 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3-4H,1-2H3/b4-3+ |
| Smiles | C/C=C/SSSSC |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Sulfenyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all