1,3-Oxazolidine-2-thione
PubChem CID: 2733223
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| Compound Synonyms | 1,3-Oxazolidine-2-thione, Oxazolidine-2-thione, 5840-81-3, 2-Thioxotetrahydro-1,3-Oxazole, 2-Oxazolidinethione, Oxazolidinethione, 2-Thiooxazolidone, 2-Mercapto-2-oxazoline, UNII-6SMJ3CUW4C, 6SMJ3CUW4C, NSC 15071, NSC-15071, 28470-84-0, NSC 209913, NSC-209913, OXAZOLIDINE,2-THIONE, DTXSID20873511, (2-Hydroxyethyl)thiocarbamic acid, gamma-lactone, NSC209913, Carbamothioic acid, (2-hydroxyethyl)-, .gamma.-lactone, 2-mercaptooxazoline, 2-aOxazolidinethione, MFCD00125763, 1,3-oxazolane-2-thione, 2-Oxazolidinethione (8CI), SCHEMBL88697, 4,5-dihydro-oxazole-2-thiol, Carbamothioic acid, (2-hydroxyethyl)-, gamma-lactone, CHEBI:195165, DTXCID001011751, 2-Oxazolidinethione (8CI)(9CI), NSC15071, 4,5-dihydro-1,3-oxazole-2-thiol, AKOS006222313, HY-W038985, AS-87486, DA-69394, PD171671, CS-0097403, EN300-25556, Q27265448, 861-850-3 |
|---|---|
| Topological Polar Surface Area | 53.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 73.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-oxazolidine-2-thione |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C3H5NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | UMURLIQHQSKULR-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.244 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.301 |
| Compound Name | 1,3-Oxazolidine-2-thione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 103.009 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 103.009 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 103.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7189052 |
| Inchi | InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6) |
| Smiles | C1COC(=S)N1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Masaikai (Plant) Rel Props:Source_db:cmaup_ingredients