3-Benzyl-5-(4-fluorophenyl)-2-mercaptothieno[2,3-d]pyrimidin-4(3h)-one CAS 565180-46-3
| CAS No. | 565180-46-3 |
| Molecular Formula | C19H13FN2OS2 |
| Molecular Weight | 368.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Benzyl-5-(4-fluorophenyl)-2-mercaptothieno[2,3-d]pyrimidin-4(3h)-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-Benzyl-5-(4-fluorophenyl)-2-mercaptothieno[2,3-d]pyrimidin-4(3h)-one (CAS 565180-46-3), a certified reference material (molecular formula C19H13FN2OS2, MW 368.45 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 3-Benzyl-5-(4-fluorophenyl)-2-mercaptothieno[2,3-d]pyrimidin-4(3h)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 368.45 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C19H13FN2OS2 |
| Molecular Weight | 368.45 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Benzyl Standards
- 2-(2-((2-(4-Fluorophenyl)-2-oxoethyl)thio)thiazol-4-yl)-N-(2-methoxyethyl)acetamide (CAS 946199-50-4)
- 4-((4-Fluorophenyl)thio)-6-(methylthio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 478247-58-4)
- 5-(4-Fluorophenyl)-6-methyl-3-phenyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 379239-36-8)
- N-(5-((2-((2-Fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide (CAS 392298-01-0)
- (E)-1-(4-(4-fluorophenyl)piperazin-1-yl)-3-(4-propoxyphenyl)prop-2-en-1-one (CAS 329779-73-9)
- 5-(2-Fluorophenyl)-2-(prop-2-yn-1-ylamino)oxazol-4(5H)-one (CAS 33880-98-7)
- (3-(5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(pyridin-3-yl)methanone (CAS 1219901-79-7)
- (2-Fluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone (CAS 921827-57-8)
Recommended Standards
- 3,4-Dimethoxy-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide (CAS 863512-91-8)
- 4-((4-(N-cyclohexyl-N-methylsulfamoyl)phenyl)amino)-4-oxobutanoic acid (CAS 717862-44-7)
- 3-(Cinnamylthio)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine (CAS 573947-36-1)
- 4-((4-Ethoxy-3-methoxybenzylidene)amino)-3-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478256-21-2)
- 2-(4-(Bromomethyl)phenyl)-2-oxoacetic acid (CAS 102047-01-8)
- 1-(Pyridine-2-carbonyl)piperidine-3-carboxylic acid (CAS 926246-86-8)
- 7-bromo-4,6-dichloro-8-fluoroquinazoline (CAS 1698027-19-8)
- Nb-Feruloyltryptamine, 98% (CAS 53905-13-8)
- Ethyl 2-(2-bromobenzo[d]thiazol-6-yl)acetate (CAS 1422170-05-5)
- 3-(Trimethylsilyl)propanal (CAS 18146-03-7)
- (S)-1-(2-Bromopyridin-4-yl)ethan-1-ol (CAS 1932185-22-2)
- (S)-1-(6-bromopyridin-2-yl)ethan-1-amine hydrochloride (CAS 1415303-42-2)
- 4-Chloro-n-(pyridin-2-yl)benzenesulfonamide (CAS 1213-38-3)
- D-[Ser]8-Semaglutide (CAS CATO-C4X-2226207)
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