3-Isothiocyanatooxolan-2-one
3-isothiocyanatooxolan-2-one
Also Known As: 3-isothiocyanatooxolan-2-one|4-Hydroxy-3-isothiocyanatobutyric acid lactone|alpha-isothiocyanato-dl-gamma-butyrolactone|alpha-Isothiocyanato-gamma-butyrolactone|3-isothiocyanatotetrahydrofuran-2-one|a-Isothiocyanato-DL-gamma-butyrolactone|2(3H)-Furanone, dihydro-3-isothiocyanato-|3-Isothiocyanatodihydro-2(3H)-furanone|.alpha.-Isothiocyanato-.gamma.-butyrolactone|3-Isothiocyanatodihydro-2(3H)-furanone #
CAS: 61315-63-7
| Molecular Formula | C5H5NO2S |
|---|---|
| Molecular Weight | 143.0041 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0041 |
| Monoisotopic Mass | 143.0041 |
| Heavy Atoms | 9 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 61315-63-7 |
|---|---|
| SMILES | C1COC(=O)C1N=C=S |
| InChIKey | MSBPBCHCQJBHNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (6 patents)
Pharmaceutical Intermediates (14 patents)
Product Overview
3-Isothiocyanatooxolan-2-one (CAS 61315-63-7), with molecular formula C5H5NO2S and molecular weight 143.0041 g/mol. IUPAC: 3-isothiocyanatooxolan-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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