Mustelan
PubChem CID: 171401
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| Compound Synonyms | 2,2-Dimethylthietane, Mustelan, 55022-72-5, Thietane, 2,2-dimethyl-, DTXSID10203560, SCHEMBL592665, DTXCID40126051 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethylthietane |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C5H10S |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJMSFYDWZDKGJI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.024 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.999 |
| Compound Name | Mustelan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.05 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4942524000000001 |
| Inchi | InChI=1S/C5H10S/c1-5(2)3-4-6-5/h3-4H2,1-2H3 |
| Smiles | CC1(CCS1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Tenuiflorum (Plant) Rel Props:Source_db:cmaup_ingredients