| CAS No. | 18060-79-2 |
| Molecular Formula | C6H9NS |
| Molecular Weight | 127.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 4-Pentenyl isothiocyanate is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Pentenyl isothiocyanate (CAS 18060-79-2), molecular formula C6H9NS and molecular weight 127.21 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, sulfur-containing functionality, 4-Pentenyl isothiocyanate is typically white to pale yellow liquid. Its solid-state physicochemical attributes — including a molecular weight of 127.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 4-Pentenyl isothiocyanate 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.
| Molecular Formula | C6H9NS |
| Molecular Weight | 127.21 g/mol |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1962 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |