3-Pentyl-2-((1E,3E,5Z)-5-(3-pentylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide CAS 53213-96-0
| CAS No. | 53213-96-0 |
| Molecular Formula | C29H35N2S2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-Pentyl-2-((1E,3E,5Z)-5-(3-pentylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide (C29H35N2S2I) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine 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.
3-Pentyl-2-((1E,3E,5Z)-5-(3-pentylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide (CAS 53213-96-0), molecular formula C29H35N2S2I and molecular weight 602.63 g/mol, is a CATO reference standard with documented purity and traceability.
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 3-Pentyl-2-((1E,3E,5Z)-5-(3-pentylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide 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 | C29H35N2S2 I |
| Molecular Weight | 602.63 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 4-Bromobicyclo[2.2.2]octane-1-carbaldehyde (CAS 94994-27-1)
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- 4-Cyclopropoxy-2-methylpyridin-3-amine (CAS 1243374-68-6)
- 2-[bromo(phenyl)methyl]pyridine (CAS 1073477-82-3)
- N-Benzoyl-N-{4-[(E)-2-phenyldiazenyl]phenyl}thiourea (CAS 96938-58-8)
- Fibrinopeptide A (human) (CAS 25422-31-5)
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