Ethyl ethyl-d5 sulfide
PubChem CID: 143783
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| Compound Synonyms | Ethyl ethyl-d5 sulfide, 61260-04-6, DTXSID80210160 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 5.0 |
| Molecular Complexity | 11.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,1,2,2-pentadeuterio-2-ethylsulfanylethane |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C4H10S |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJSQFQKUNVCTIA-WNWXXORZSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.835 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.523 |
| Compound Name | Ethyl ethyl-d5 sulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 95.0817 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 95.0817 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 95.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4608733551179998 |
| Inchi | InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3/i1D3,3D2 |
| Smiles | [2H]C([2H])([2H])C([2H])([2H])SCC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients