3-[(Cyanomethyl)sulfanyl]-1-(2-methylphenyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile CAS 439096-75-0
| CAS No. | 439096-75-0 |
| Molecular Formula | C18H15N3S |
| Molecular Weight | 305.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-[(Cyanomethyl)sulfanyl]-1-(2-methylphenyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile.
3-[(Cyanomethyl)sulfanyl]-1-(2-methylphenyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile (CAS 439096-75-0), molecular formula C18H15N3S and molecular weight 305.40 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[(Cyanomethyl)sulfanyl]-1-(2-methylphenyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile (C18H15N3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C18H15N3S |
| Molecular Weight | 305.40 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Cyanomethyl Standards
- 3-[(cyanomethyl)sulfanyl]-1-phenyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 315246-86-7)
- 3-((Cyanomethyl)thio)-N-(4-methoxyphenyl)thiophene-2-carboxamide (CAS 303150-88-1)
- N-(4-(cyanomethyl)phenyl)-1-phenylcyclopentane-1-carboxamide (CAS 591241-84-8)
- N-(Cyanomethyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxamide (CAS 1333608-16-4)
- n-(Cyanomethyl)-4-fluoro-2-iodobenzamide (CAS 1424556-54-6)
- 3-(4-((2-(Cyanomethyl)phenyl)ethynyl)-2-fluorophenyl)propanoic acid (CAS 1402601-82-4)
- 3-[(Cyanomethyl)sulfanyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide (CAS 303150-92-7)
- (Cyanomethyl)(triphenyl)phosphonium (CAS 47181-92-0)
Recommended Standards
- 3-(2,2-Dimethoxyethyl)-4-phenyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole (CAS 303995-35-9)
- 2-{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide (CAS 878925-51-0)
- 3-Amino-4,6-dimethyl-N-[(oxolan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CAS 692747-80-1)
- 2-(Morpholinomethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 20887-01-8)
- Methyl 5-fluoro-[2,3'-bipyridine]-5'-carboxylate (CAS 1346686-88-1)
- 4-(Methoxycarbonyl)-2-phenylquinoline 1-oxide (CAS 65417-19-8)
- 3-(5-Methyl-2H-tetrazol-2-yl)-1-adamantanamine (CAS 915923-76-1)
- Dimethyl 2-(4-((3-(benzyloxy)phenyl)thio)-2-chlorophenethyl)-2-methoxymalonate (CAS 1023648-23-8)
- 1-(2-Methoxyethyl)octahydro-1H-pyrrolo[3,2-c]pyridine (CAS 1422067-22-8)
- 7-Amino-2-thiaspiro[3.5]Nonane 2,2-dioxide (CAS 2059927-90-9)
- Ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 107752-88-5)
- 5-Benzyl-2-oxa-5,8-diazaspiro[3.5]Nonan-7-one (CAS 1936388-34-9)
- (2-Bromo-5-(difluoromethyl)-4-methoxypyridin-3-yl)methanol (CAS 1805351-70-5)
- [Plus-β-Ala28]-Semaglutide (CAS CATO-C4X-2226221)
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