5-Thioxopyrrolidin-2-one CAS 4166-00-1
| CAS No. | 4166-00-1 |
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Thioxopyrrolidin-2-one is closely related to an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Thioxopyrrolidin-2-one (CAS 4166-00-1), molecular formula C4H5NOS and molecular weight 115.15 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 5-Thioxopyrrolidin-2-one is typically white to pale yellow liquid. Its solid-state physicochemical attributes — including a molecular weight of 115.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Thioxopyrrolidin Standards
- 2-(2-Thioxopyrrolidin-1-yl)acetic acid (CAS 61516-72-1)
- 2-Methyl-1-(2-thioxopyrrolidin-1-yl)propan-1-one (CAS 121003-08-5)
- 3-(2-Thioxopyrrolidin-1-yl)propanamide (CAS 175025-80-6)
- 3-(2-Thioxopyrrolidin-1-yl)propyl acetate (CAS 155106-23-3)
- Ethyl 3-(2-thioxopyrrolidin-1-yl)propanoate (CAS 74991-93-8)
- Phenyl(2-thioxopyrrolidin-1-yl)methanone (CAS 147354-42-5)
- 1-Benzyl-5-thioxopyrrolidin-2-one (CAS 95141-59-6)
- 3-(2-Butyl-5-thioxopyrrolidin-1-yl)propanenitrile (CAS 73696-56-7)
Recommended Standards
- 5-Methylisothiazol-3(2H)-one (CAS 2825-29-8)
- 6-Fluoro-1-azaspiro[3.3]heptane (CAS 2090743-25-0)
- 5-Methyl-1,3-thiazol-2-ol (CAS 79307-64-5)
- Isothiazol-3-ylmethanol (CAS 89033-17-0)
- 4-Methyl-5-(piperidin-4-yloxy)isoquinoline (CAS 651308-48-4)
- (E)-2-(2-(2-(2-(2,5-dimethoxybenzylidene)hydrazinyl)thiazol-4-yl)ethyl)isoindoline-1,3-dione (CAS 861211-21-4)
- 1-(Pyridin-2-ylmethyl)piperidine-3-carboxylic acid (CAS 887444-94-2)
- tert-Butyl 2-((2-chloro-N-cyclopropylacetamido)methyl)pyrrolidine-1-carboxylate (CAS 1353943-80-2)
- 2-(1-Chloroethyl)-5-(4-fluorophenyl)oxazole (CAS 1094318-38-3)
- tert-Butyl cis-3-fluoro-4-hydroxypyrrolidine-1-carboxylate (CAS 2055223-76-0)
- Eldecalcitol Impurity 59 (CAS CATO-C4X-214059)
- 5-(([1,1'-Biphenyl]-4-yloxy)methyl)-1-(3,4-dimethylphenyl)-1H-1,2,4-triazole-3-thiol (CAS 68869-55-6)
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