N-Cyano-S-(5,5-dichloro-2-methylpenta-2,4-dienyl)-N'-phenylisothiourea CAS 353254-67-8
| CAS No. | 353254-67-8 |
| Molecular Formula | C14H13Cl2N3S |
| Molecular Weight | 326.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-Cyano-S-(5,5-dichloro-2-methylpenta-2,4-dienyl)-N'-phenylisothiourea is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-Cyano-S-(5,5-dichloro-2-methylpenta-2,4-dienyl)-N'-phenylisothiourea (CAS 353254-67-8), molecular formula C14H13Cl2N3S and molecular weight 326.24 g/mol, is a CATO reference standard with documented purity and traceability.
N-Cyano-S-(5,5-dichloro-2-methylpenta-2,4-dienyl)-N'-phenylisothiourea (C14H13Cl2N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C14H13Cl2N3S |
| Molecular Weight | 326.24 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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- 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride (CAS 1245569-30-5)
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- 1-(3-Chloro-4-methoxyphenyl)butan-1-one (CAS 868075-01-8)
- 2-Amino-4-chloro-5-iodopyridine (CAS 670253-37-9)
- Mast Cell Degranulating (MCD) Peptide (CAS 32908-73-9)
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