2-((3-Methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid CAS 59898-74-7
| CAS No. | 59898-74-7 |
| Molecular Formula | C13H14N2O3S2 |
| Molecular Weight | 310.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((3-Methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid.
CATO supplies 2-((3-Methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid (CAS 59898-74-7), a certified reference material (molecular formula C13H14N2O3S2, MW 310.39 g/mol) for analytical method development and quality control.
Structurally, 2-((3-Methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid (C13H14N2O3S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 310.39 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), 2-((3-Methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid 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 | C13H14N2O3S2 |
| Molecular Weight | 310.39 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
- 2-((3-Allyl-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid (CAS 380453-43-0)
- 2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid (CAS 247061-94-5)
- 2-((3-Allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid (CAS 510724-80-8)
- 2-(1-(3-Phenoxypropyl)-1H-benzo[d]imidazol-2-yl)propan-2-ol (CAS 941540-11-0)
- 4-Ethyl-7,8-dihydroxy-2H-chromen-2-one (CAS 19040-66-5)
- tert-butyl [(2-cyanoethyl)(methyl)carbamoyl]formate (CAS 1803570-32-2)
- 2-(Hydroxy(pyridin-4-yl)methyl)acrylonitrile (CAS 211616-64-7)
- Tert-butyl (5R,7S)-7-methyl-2-(2-oxo-2-phenylethyl)-2,8-diazaspiro[4.5]Decane-8-carboxylate (CAS 1899102-33-0)
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