2-((4-Chlorobenzyl)thio)-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene CAS 1276469-63-6
| CAS No. | 1276469-63-6 |
| Molecular Formula | C19H19ClN2S2 |
| Molecular Weight | 374.95 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-((4-Chlorobenzyl)thio)-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene (CAS 1276469-63-6), molecular formula C19H19ClN2S2 and molecular weight 374.95 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-((4-Chlorobenzyl)thio)-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene (C19H19ClN2S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine 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.
Physical & Chemical Properties
| Molecular Formula | C19H19ClN2S2 |
| Molecular Weight | 374.95 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chlorobenzyl Standards
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Recommended Standards
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- 4-Ethoxy-3,5-diiodopyridine (CAS 767333-76-6)
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- (3S,4R,5R)-3,4-Dihydroxy-5-((R)-1-hydroxyethyl)dihydrofuran-2(3H)-one (CAS 106293-98-5)
- 3,4-Dihydroacridin-1(2H)-one (CAS 58509-58-3)
- 6,6-Difluoro-2-azaspiro[3.3]heptane Trifluoroacetate (CAS 1354952-05-8)
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- 2,2-Difluoro-2-(6-fluoro-2-methyl-2H-indazol-5-yl)acetic acid (CAS 1638768-11-2)
- 1,2,4-Trimethyl-1H-pyrrole (CAS 931-25-9)
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