2-Mercapto-3-(2-methoxy-ethyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one CAS 748777-74-4
| CAS No. | 748777-74-4 |
| Molecular Formula | C13H16N2O2S2 |
| Molecular Weight | 296.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Mercapto-3-(2-methoxy-ethyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 748777-74-4), molecular formula C13H16N2O2S2 and molecular weight 296.41 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Mercapto-3-(2-methoxy-ethyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (C13H16N2O2S2) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 296.41 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.
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 | C13H16N2O2S2 |
| Molecular Weight | 296.41 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 2-Hydroxy Imipramine (CAS 303-70-8)
- 3-(Benzylideneamino)-4-phenylthiazole-2(3H)-thione (CAS 22454-80-4)
- 6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CAS 350680-06-7)
- 2-Cyclopropyl-n-phenylacetamide (CAS 5687-69-4)
- Dichlorobis[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde]palladium (CAS 84206-78-0)
- Nicotinoylmethionine (CAS 17274-90-7)
- 1-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)urea (CAS 50693-06-6)
- (2S,4R)-4-(4-Bromobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049978-43-9)
- 2,3-Difluoro-5-methoxy-4-methylbenzaldehyde (CAS 1706430-72-9)
- 5-Benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid (CAS 1284992-86-4)
- 5-(1-chloroethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CAS 64984-97-0)
- D-Ile12-Tirzepatide (CAS CATO-CPTD788921)
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