Propanoic acid, 3-(propylamino)-3-thioxo-, ethyl ester CAS 57005-81-9
| CAS No. | 57005-81-9 |
| Molecular Formula | C8H15NO2S |
| Molecular Weight | 189.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Propanoic acid, 3-(propylamino)-3-thioxo-, ethyl ester (CAS 57005-81-9) is a high-purity analytical reference standard with the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol.
Structurally, Propanoic acid, 3-(propylamino)-3-thioxo-, ethyl ester (C8H15NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 189.28 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), Propanoic acid, 3-(propylamino)-3-thioxo-, ethyl ester meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H15NO2S |
| Molecular Weight | 189.28 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) | 2.0 |
| CAS Registry Year (est.) | 1973 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-((1-fluorocyclopentyl)methyl)thietan-3-amine (CAS 1878541-10-6)
- 4-Bromo-3-(difluoromethyl)-2-fluoropyridine-5-acetic acid (CAS 1804852-40-1)
- 6-Bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CAS 1427460-57-8)
- Methyl 2-amino-5-(3,4-dichlorophenyl)thiazole-4-carboxylate (CAS 860784-58-3)
- 2-(1H-pyrazol-1-ylmethyl)piperidine (CAS 1249393-90-5)
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- (R)-3,3'-Bis[(10-phenylanthracen-9-yl)]-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate (CAS 1262129-47-4)
- Resmetirom Impurity 46 (CAS CATO-C4X-291246)
- 6-Chloro-N4-(2,2-dimethylthietan-3-yl)pyrimidine-2,4-diamine (CAS 1876205-87-6)
- 7-(2-Iodophenyl)-7-oxoheptanenitrile (CAS 898768-06-4)
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