Di((2H3)methyl) sulphide
PubChem CID: 2724139
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| Compound Synonyms | 926-09-0, Dimethyl sulfide-d6, Di((2H3)methyl) sulphide, Hexadeuterodimethyl sulfide, DIMETHYL-D6 SULFIDE, trideuterio(trideuteriomethylsulfanyl)methane, EINECS 213-133-6, Di[(2H3)methyl] sulphide, DTXSID80239058, 1,1'-Thiobismethane-d3 (Dimethyl Sulfide-d6), 1,1'-Thiobismethane-d3, (Methyl sulfide)-d6, (Methyl sulfide)d6, DTXCID00161549, QMMFVYPAHWMCMS-WFGJKAKNSA-N, Dimethyl sulfide-d6, 99 atom % D, AKOS015912413, DB-319211, 213-133-6 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 3.0 |
| Isotope Atom Count | 6.0 |
| Molecular Complexity | 2.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trideuterio(trideuteriomethylsulfanyl)methane |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C2H6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMMFVYPAHWMCMS-WFGJKAKNSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.975 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.897 |
| Compound Name | Di((2H3)methyl) sulphide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 68.0567 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 68.0567 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 68.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6850763861415998 |
| Inchi | InChI=1S/C2H6S/c1-3-2/h1-2H3/i1D3,2D3 |
| Smiles | [2H]C([2H])([2H])SC([2H])([2H])[2H] |
| 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 Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients