2-(4-Thioxo-1,3,5-triazinan-1-yl)acetic acid CAS 89417-94-7
| CAS No. | 89417-94-7 |
| Molecular Formula | C5H9N3O2S |
| Molecular Weight | 175.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(4-Thioxo-1,3,5-triazinan-1-yl)acetic acid (CAS 89417-94-7) is a high-purity analytical reference standard with the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol.
Based on its molecular formula C5H9N3O2S, 2-(4-Thioxo-1,3,5-triazinan-1-yl)acetic acid contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 175.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
CATO manufactures 2-(4-Thioxo-1,3,5-triazinan-1-yl)acetic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C5H9N3O2S |
| Molecular Weight | 175.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1982 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Thioxo Standards
- 2-Thioxo-2,3-dihydrothiazol-5-yl acetate (CAS 149432-47-3)
- 4-Methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylic acid (CAS 57658-34-1)
- Methyl 2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 885685-70-1)
- 2-Thioxo-2,3-dihydrobenzo[d]oxazole-5-carbonitrile (CAS 93794-41-3)
- Ethyl 5-thioxo-2,5-dihydro-1H-tetrazole-1-carboxylate (CAS 1160995-21-0)
- 2-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanethioamide (CAS 872266-72-3)
- Ethyl 2-thioxo-2,3-dihydrooxazole-4-carboxylate (CAS 1352443-33-4)
- 2-(4-Methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid (CAS 1378830-33-1)
Recommended Standards
- 2-(3-Oxothiomorpholin-2-yl)acetic acid (CAS 803631-38-1)
- 2,5-Dimethylfuran-3-sulfonamide (CAS 858248-39-2)
- 1-Ethyl-1H-pyrazole-4-sulfonamide (CAS 955868-96-9)
- 2H-Thiazolo[5,4-g]indazole (CAS 218596-83-9)
- (2S,6S)-2,6-Dimethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester (CAS 1268816-80-3)
- 4-Chloro-3,3-dimethylbut-1-ene (CAS 65870-89-5)
- methyl 2-(methylamino)-3-nitrobenzoate (CAS 913297-15-1)
- Methyl (2S)-2-methyl-5-oxopyrrolidine-3-carboxylate (CAS 2172882-18-5)
- Tert-butyl 2-(aminomethyl)-4,6-dihydro-5H-pyrrolo[3,4-d]thiazole-5-carboxylate (CAS 2387600-42-0)
- Carbamic acid, N-[(3S)-2,2-dimethyl-4-oxo-1-(phenylmethoxy)-3-azetidinyl]-, 1,1-dimethylethyl ester (CAS 102507-25-5)
- Pteridine-2-thiol (CAS 16878-76-5)
- 2-Methyl-5,6,7,8-tetrahydroquinazolin-5-one (CAS 21599-29-1)
- Oxymetazoline-d4 (imidazoline-d4) (CAS 1262053-60-0)
- Des-Pro36-Tirzepatide (CAS CATO-CPTD788937)
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