2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]acetic acid CAS 731826-75-8
| CAS No. | 731826-75-8 |
| Molecular Formula | C13H14N2O3S2 |
| Molecular Weight | 310.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]acetic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]acetic acid (CAS 731826-75-8), molecular formula C13H14N2O3S2 and molecular weight 310.39 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]acetic acid (C13H14N2O3S2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | 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.) | 1986 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Hexahydro Standards
- 3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxybenzoic acid (CAS 299181-35-4)
- 5-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-2-methoxybenzoic acid (CAS 326907-67-9)
- 202185-84-0 Hexahydro-1H-1,4-diazepine-1,4-bis(2-ethanesulfonic acid) Homo-PIPES Homopiperazine-1,4-bis(2-ethanesulfonic acid) Homopiperazine-N,N'-bis-[2-(ethanesulfonic acid)] Tetrahydro-1H-1,4-diazepine-1,4(5H)-diethanesulfonic Acid (CAS 202185-84-0)
- 2-((5-Oxo-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)-N-propylacetamide (CAS 922007-72-5)
- 4-((3-Oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)methyl)benzoic acid (CAS 1707370-36-2)
- 3-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acid (CAS 790271-09-9)
- 1-Butyl-2,3,4,5,6,7-hexahydro-3-methyl-2,4,6-trioxo-1H-pyrrolo[2,3-d]pyrimidine-5-acetic acid (CAS 726153-21-5)
- 1,2,3,5,6,7-Hexahydro-3-pentyl-2-thioxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 727696-13-1)
Recommended Standards
- 2-[(4-Methylphenyl)methylene]-3-phenyl-1-indanone (CAS 337921-39-8)
- 2-[4-Methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl]ethyl thiophene-2-carboxylate (CAS 338401-96-0)
- 2-[(3-Ethyl-3,5,6,7-tetrahydro-4-oxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (CAS 314041-85-5)
- 2-Acetoxy-4-pentylbenzophenone (CAS 890098-46-1)
- (S)-N-(3-(1-Amino-2-hydroxyethyl)phenyl)acetamide (CAS 1213412-56-6)
- 7-chloro-3-methyl-thieno[2,3-c]pyridine-4-carboxylic acid (CAS 2306262-10-0)
- 6-(Tritylthio)hexan-1-ol (CAS 100360-57-4)
- 2-Ethyl 4-methyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 356568-69-9)
- tert-Butyl 4-(5-aminopyridin-2-yl)piperidine-1-carboxylate (CAS 885693-48-1)
- 3-Methoxyfuran-2,5-dione (CAS 69945-03-5)
- GPR4 receptor modulator 33 (CAS 1198009-20-9)
- 3-(3,4-Difluorophenyl)-3-oxopropanal (CAS 913820-49-2)
- Urapidil Impurity 106 (CAS CATO-C4X-1924106)
- Semaglutide impurity 31 (CAS CATO-C4X-222631)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com