1-Ethylsulfinylsulfinylethane
PubChem CID: 14782794
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| Compound Synonyms | SCHEMBL22026743 |
|---|---|
| Topological Polar Surface Area | 72.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethylsulfinylsulfinylethane |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C4H10O2S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXCOSRLGONUHMA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.683 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.609 |
| Compound Name | 1-Ethylsulfinylsulfinylethane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.012 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.012 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 154.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3085871999999998 |
| Inchi | InChI=1S/C4H10O2S2/c1-3-7(5)8(6)4-2/h3-4H2,1-2H3 |
| Smiles | CCS(=O)S(=O)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bergenia Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients