S-2-Propenyl 2-propene-1-sulfonothioate
PubChem CID: 85776791
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL7112465, S-2-Propenyl 2-propene-1-sulfonothioate |
|---|---|
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Constituent of garlic (Allium sativum). S-2-Propenyl 2-propene-1-sulfonothioate is found in garlic and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-prop-2-enylsulfonylsulfanylprop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C6H10O2S2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FKSYNVLOSJKCKH-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.264 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.482 |
| Synonyms | S-2-Propenyl 2-propene-1-sulfonothioate |
| Compound Name | S-2-Propenyl 2-propene-1-sulfonothioate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 178.012 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.012 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4532235999999998 |
| Inchi | InChI=1S/C6H10O2S2/c1-3-5-9-10(7,8)6-4-2/h3-4H,1-2,5-6H2 |
| Smiles | C=CCSS(=O)(=O)CC=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