2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile CAS 332385-71-4
| CAS No. | 332385-71-4 |
| Molecular Formula | C25H16Cl2N2S |
| Molecular Weight | 447.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile (CAS 332385-71-4) is a high-purity analytical reference standard with the molecular formula C25H16Cl2N2S and a molecular weight of 447.38 g/mol.
Structurally, 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile (C25H16Cl2N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine 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 447.38 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.
As a certified reference material (CRM), 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C25H16Cl2N2S |
| Molecular Weight | 447.38 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 | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Benzylthio Standards
- 2-(Benzylthio)-4-(2-chlorophenyl)-6-(4-chlorophenyl)nicotinonitrile (CAS 332177-30-7)
- (E)-4-(benzylthio)-3-nitrobenzaldehyde O-(2,4-dichlorobenzyl) oxime (CAS 303996-23-8)
- (E)-4-(benzylthio)-3-nitrobenzaldehyde O-(2,6-dichlorobenzyl) oxime (CAS 303996-25-0)
- 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine (CAS 680216-97-1)
- 2-(Benzylthio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-11-4)
- 2-(Benzylthio)-4-((4-methoxyphenyl)thio)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478029-99-1)
- 2-(Benzylthio)-4-((3-(trifluoromethyl)benzyl)thio)thieno[3,2-d]pyrimidine (CAS 478067-44-6)
- 2-(Benzylthio)-4-(naphthalen-2-yloxy)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478030-09-0)
Recommended Standards
- N-(4-((1,2-Bis(5-nitrofuran-2-yl)vinyl)sulfonyl)phenyl)acetamide (CAS 53828-82-3)
- 2-((2,6-Dichlorobenzyl)thio)-4,6-diphenylnicotinonitrile (CAS 400738-16-1)
- N,N-Diphenyl-4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-amine (CAS 675571-82-1)
- (2Z)-2-(3-Chlorophenyl)-3-(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)prop-2-enenitrile (CAS 478065-18-8)
- [2-Amino-1-(4-bromophenyl)ethyl]dimethylamine (CAS 951917-39-8)
- 4-(4-(3-Methylpiperidin-1-yl)-3-nitrophenyl)phthalazin-1(2H)-one (CAS 882000-14-8)
- tert-Butyl 2-((isopropylamino)methyl)pyrrolidine-1-carboxylate (CAS 1303967-81-8)
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- N-(3-Pyridinylmethyl)(2-thienyl)methanamine (CAS 774191-55-8)
- 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide (CAS 849066-34-8)
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