4-Isothiazolecarbonitrile, 2,3-dihydro-5-mercapto-3-thioxo-, disodium salt CAS 2076-67-7
| CAS No. | 2076-67-7 |
| Molecular Formula | C4H2N2S3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Isothiazolecarbonitrile, 2,3-dihydro-5-mercapto-3-thioxo-, disodium salt (CAS 2076-67-7) is a high-purity analytical reference standard with the molecular formula C4H2N2S3Na and a molecular weight of 197.24 g/mol.
Based on its molecular formula C4H2N2S3Na, 4-Isothiazolecarbonitrile, 2,3-dihydro-5-mercapto-3-thioxo-, disodium salt contains a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 197.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C4H2N2S3 2*Na |
| Molecular Weight | 197.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
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- tert-Butyl N-[(3S,3aR,6S,6aR)-6-amino-hexahydrofuro[3,2-b]furan-3-yl]carbamate (CAS 1932199-27-3)
- 2-(2,4-Dichlorophenoxy)-N-(2-hydrazinyl-2-oxoethyl)acetamide (CAS 2381-76-2)
- 3-Bromo-4-cyclopropoxy-N-methylpyridin-2-amine (CAS 1243414-48-3)
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