3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid CAS 1248059-06-4
| CAS No. | 1248059-06-4 |
| Molecular Formula | C7H10N2O3S |
| Molecular Weight | 202.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid (CAS 1248059-06-4), molecular formula C7H10N2O3S and molecular weight 202.23 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, 3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 202.23 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 | C7H10N2O3S |
| Molecular Weight | 202.23 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related methylsulfanyl Standards
- 1698AF 4-Methylsulfanyl-2-tetrazol-1-yl-butyric acid 883544-48-7 C6H10N4O2S (CAS 883544-48-7)
- 1-methyl-3-(methylsulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 1315367-24-8)
- 2-(Methylsulfanyl)-5-phenylpyrimidine (CAS 31408-20-5)
- 5-methyl-4-[(methylsulfanyl)methyl]thiophene-2-carboxylic acid (CAS 1394041-05-4)
- 1-Methyl-4-[(methylsulfanyl)sulfonyl]benzene (CAS 4973-66-4)
- 2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde (CAS 1233093-59-8)
- 2-(methylsulfanyl)-5H,6H-pyrido[4,3-d]pyrimidin-5-one (CAS 902576-09-4)
- 2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one (CAS 211244-81-4)
Recommended Standards
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- N-(2-Amino-5-hydroxyphenyl)methanesulfonamide (CAS 1243479-49-3)
- N-benzyl-6-fluoropyridin-2-amine (CAS 1249433-89-3)
- 2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile (CAS 340809-01-0)
- Nevirapine 3-Hydroxy Impurity (CAS 174532-82-2)
- 4-Propoxy-1H-pyrazole (CAS 88095-60-7)
- 2,6-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CAS 66521-81-1)
- 4-[(pyrimidin-2-yl)amino]butanoic acid (CAS 27179-33-5)
- 6-Chloro-4-methyl-2-propyl-2H-pyrazolo[3,4-b]pyridine (CAS 1018048-12-8)
- 2-Bromo-3-(2,3,5,6-tetramethylphenyl)-1-propene (CAS 951893-51-9)
- 4,6-Dichloro-2-(2-pyridyl)pyrimidine (CAS 10235-65-1)
- 7-Hydroxy-2-(2-hydroxyphenyl)-5,8-dimethoxychroman-4-one (CAS 1351338-14-1)
- Angiotensin II Antipeptide (CAS 121379-63-3)
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