Thietane
PubChem CID: 9251
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| Compound Synonyms | Thietane, Trimethylene sulfide, 287-27-4, THIACYCLOBUTANE, Propane, 1,3-epithio-, UNII-1O7C19QQDB, 1O7C19QQDB, 1,3-epithio propane, EINECS 206-015-0, NSC 56443, NSC-56443, DTXSID7059773, CHEBI:87565, Trimethylene sulfide (8CI), DTXCID1037854, NSC56443, MFCD00042751, AKOS015840983, Trimethylene sulfide, >=96.0% (GC), DB-246430, NS00028533, T0474, D92349, Q127300, 206-015-0 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 4.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 17.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | thietane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Is Pains | False |
| Molecular Formula | C3H6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSROQCDVUIHRSI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Thietane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 74.019 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 74.019 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 74.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9360175999999999 |
| Inchi | InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2 |
| Smiles | C1CSC1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients