3,4-dihydro-1H-2-benzothiopyran-1-carbonitrile CAS 13329-15-2
| CAS No. | 13329-15-2 |
| Molecular Formula | C10H9NS |
| Molecular Weight | 175.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3,4-dihydro-1H-2-benzothiopyran-1-carbonitrile (CAS 13329-15-2), molecular formula C10H9NS and molecular weight 175.25 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H9NS, 3,4-dihydro-1H-2-benzothiopyran-1-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 175.25 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 | C10H9NS |
| Molecular Weight | 175.25 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 6'-(Diethylamino)-2'-[Methyl[3-(Trifluoromethyl)Phenyl]Amino]-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One (CAS 78923-50-9)
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