2-(Benzylsulfanyl)-4-phenyl-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carbonitrile CAS 303985-07-1
| CAS No. | 303985-07-1 |
| Molecular Formula | C25H16F3N3S2 |
| Molecular Weight | 479.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Benzylsulfanyl)-4-phenyl-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carbonitrile (CAS 303985-07-1), molecular formula C25H16F3N3S2 and molecular weight 479.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Benzylsulfanyl)-4-phenyl-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carbonitrile (C25H16F3N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 479.54 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 2-(Benzylsulfanyl)-4-phenyl-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C25H16F3N3S2 |
| Molecular Weight | 479.54 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Benzylsulfanyl Standards
- 2-(Benzylsulfanyl)-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine (CAS 477848-72-9)
- 3-[5-(Benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-1-[(3,4-dichlorophenyl)methyl]-1,2-dihydropyridin-2-one (CAS 477853-26-2)
- 2-(Benzylsulfanyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]pyridine-3-carbonitrile (CAS 303985-51-5)
- 3-Benzyl-5-(benzylsulfanyl)-8,9-dimethoxy-2H,3H-imidazo[1,2-c]quinazolin-2-one (CAS 477768-52-8)
- (E)-{[6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}[(2,4-dichlorophenyl)methoxy]amine (CAS 338976-41-3)
- (E)-{[6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}[(3,4-dichlorophenyl)methoxy]amine (CAS 338976-37-7)
- (E)-{[4-(benzylsulfanyl)-3-nitrophenyl]methylidene}[(3,4-dichlorophenyl)methoxy]amine (CAS 303996-24-9)
- 2-(Benzylsulfanyl)-4-[(2,4-dichlorophenyl)sulfanyl]thieno[3,2-d]pyrimidine (CAS 339018-96-1)
Recommended Standards
- ML345 (CAS 1632125-79-1)
- Dimethyl 4-(2-(benzyloxy)-4-fluorophenyl)-2,6-diisopropylpyridine-3,5-dicarboxylate (CAS 470717-47-6)
- (S)-(-)-Nicardipine (CAS 76093-36-2)
- N-[2-(Cyclohex-1-en-1-yl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-2H,4H,5H,6H-cyclopenta[c]pyrazol-2-yl}benzamide (CAS 866018-78-2)
- 3-Phenyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 1370046-40-4)
- Ethyl 3-ethyl-1-methyl-1H-pyrazole-5-carboxylate (CAS 128537-26-8)
- 1-(cyclopropylmethoxy)-4-fluoro-2-nitrobenzene (CAS 1092496-28-0)
- Methyl (3S,4R)-4-methylpiperidine-3-carboxylate hydrochloride (CAS 1009376-55-9)
- 3,3',3'',3'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetrabenzoicacid (CAS 2757729-91-0)
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- 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)- (CAS 89-88-3)
- tert-Butyl (2-(2-chloroacetamido)ethyl)carbamate (CAS 149979-14-6)
- 3-(3-Azetidinyl)-5-methylpyridine (CAS 1260645-96-2)
- 103244-41-3 Insulin-like Growth Factor-II fragment 33-40 Ser-Arg-Val-Ser-Arg-Arg-Ser-Arg (CAS 103244-41-3)
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