Methyl DL-2-isothiocyanatobutyrate CAS 68693-53-8
| CAS No. | 68693-53-8 |
| Molecular Formula | C6H9NO2S |
| Molecular Weight | 159.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 159.21 g/mol gives Methyl DL-2-isothiocyanatobutyrate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl DL-2-isothiocyanatobutyrate (CAS 68693-53-8) is a high-purity analytical reference standard with the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, Methyl DL-2-isothiocyanatobutyrate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 159.21 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.
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), Methyl DL-2-isothiocyanatobutyrate 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 | C6H9NO2S |
| Molecular Weight | 159.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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