3-(2-Fluorophenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one CAS 721418-45-7
| CAS No. | 721418-45-7 |
| Molecular Formula | C16H13FN2OS2 |
| Molecular Weight | 332.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(2-Fluorophenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 721418-45-7) is a high-purity analytical reference standard with the molecular formula C16H13FN2OS2 and a molecular weight of 332.42 g/mol.
The molecular framework of 3-(2-Fluorophenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (C16H13FN2OS2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H13FN2OS2 |
| Molecular Weight | 332.42 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Fluorophenyl Standards
- 2-((4-Fluorophenyl)thio)-N-(2-methylbenzo[d]thiazol-6-yl)acetamide (CAS 898439-07-1)
- 2-((4-Fluorophenyl)thio)-N-(4-methylbenzo[d]thiazol-2-yl)acetamide (CAS 895490-16-1)
- 2-((4-Fluorophenyl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide (CAS 895489-63-1)
- 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole (CAS 339015-41-7)
- 3-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one (CAS 592537-76-3)
- 1-(4-(5-(4-Fluorophenyl)furan-2-carbonothioyl)piperazin-1-yl)ethan-1-one (CAS 840497-99-6)
- Ethyl 2-(7-(3-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetate (CAS 1207032-75-4)
- 2-((4-Fluorophenyl)thio)-N-((5-(furan-2-yl)isoxazol-3-yl)methyl)acetamide (CAS 1210432-23-7)
Recommended Standards
- 3-(1,3-Benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1,2-dihydropyridin-2-one (CAS 860609-20-7)
- 2-Phenoxy-5-(piperidin-1-ylsulfonyl)aniline (CAS 556016-26-3)
- 3-(Methoxymethyl)-5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-4-phenyl-4H-1,2,4-triazole (CAS 881595-76-2)
- 2-Mercapto-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 917561-70-7)
- Dihydro Nicotyrine-d3 (CAS 1246818-62-1)
- N-[4-(Aminosulfonyl)phenyl]-4-(3-phenyl-2-propenyl)-1-piperazinecarbothioamide (CAS 664969-54-4)
- CP 424174 N-[[[4-Chloro-2,6-bis(1-methylethyl)phenyl]amino]carbonyl]-3-(1-hydroxy-1-methylethyl)benzenesulfonamide 210825-31-3 (CAS 210825-31-3)
- 2-Bromo-5-(tert-butoxy)phenol (CAS 1243362-65-3)
- Propyl 4-Aminobenzoate (CAS 94-12-2)
- 3,4-Dimethyl-n-{[2-(prop-2-en-1-yloxy)phenyl]methyl}aniline (CAS 851457-30-2)
- (2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (CAS 2713-54-4)
- 4-Chloro-N,N-diethyl-6-methoxy-1,3,5-triazin-2-amine (CAS 1722-21-0)
- Methyl (pyrrolidine-1-carbonyl)glycinate (CAS 1401319-26-3)
- Semaglutide (CAS 910463-68-2（free base）)
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