S-2-Propenyl 1-propenesulfinothioate
PubChem CID: 58219317
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | S-2-Propenyl 1-propenesulfinothioate, Allyl-S(O)S-Propenyl, SCHEMBL7029029, SCHEMBL7029031, DTXSID801245308, NS00093843, S-2-Propen-1-yl (1E)-1-propene-1-sulfinothioate, 3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene, 134595-70-3 |
|---|---|
| Topological Polar Surface Area | 61.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MMTFXWIIILIGFN-GQCTYLIASA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | S-2-Propenyl 1-propenesulfinothioate |
| Heavy Atom Count | 9.0 |
| Compound Name | S-2-Propenyl 1-propenesulfinothioate |
| Description | Constituent of Allium subspecies S-2-Propenyl 1-propenesulfinothioate is found in soft-necked garlic and onion-family vegetables. |
| Exact Mass | 162.017 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 162.017 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene |
| Total Atom Stereocenter Count | 1.0 |
| Nih Violation | True |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ |
| Smiles | C/C=C/S(=O)SCC=C |
| Xlogp | 1.4 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C6H10OS2 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all