Divinyl sulfide
PubChem CID: 12321
Connections displayed (default: 10).
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| Compound Synonyms | Divinyl sulfide, Vinyl sulfide, Divinyl thioether, ethenylsulfanylethene, 627-51-0, Ethene, 1,1'-thiobis-, 1,1'-THIOBISETHENE, diethenyl sulfide, (ethenylsulfanyl)ethene, UNII-CL87X0NVJA, CL87X0NVJA, BRN 1733369, (CH2=CH)2S, Vinyl sulfide, 8CI, 1,1'-Thiobis-Ethene, 3-Thia-1,4-pentadiene, 1-(Vinylsulfanyl)ethylene, 1,1'-Thiobisethene, 9CI, DTXSID10211766, thiodiethylene, divinyl sulphide, ethenylsulanylethene, DIVINYLSULFIDE, (Ethenylsulphanyl)ethene, 1-(Vinylsulfanyl)ethylene #, DTXCID40134257, CHEBI:177668, EN300-26948834, Q27275519 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Description | Present in oil of Allium subspecies Divinyl sulfide is found in onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 32.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethenylsulfanylethene |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C4H6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIYCHXAGWOYNNA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.444 |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Logd | 2.496 |
| Synonyms | (CH2=CH)2S, 1-(Vinylsulfanyl)ethylene, 1,1'-Thiobis-ethene, 1,1'-Thiobisethene, 1,1'-Thiobisethene, 9CI, 3-Thia-1,4-pentadiene, Diethenyl sulfide, Divinyl thioether, Ethene, 1,1'-thiobis-, Vinyl sulfide, Vinyl sulfide, 8CI |
| Compound Name | Divinyl sulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.019 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.019 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4076857999999999 |
| Inchi | InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2 |
| Smiles | C=CSC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Strophanthus Divaricatus (Plant) Rel Props:Source_db:cmaup_ingredients