N-{2-Cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide CAS 860609-92-3
| CAS No. | 860609-92-3 |
| Molecular Formula | C20H13N3OS2 |
| Molecular Weight | 375.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-{2-Cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-{2-Cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide (CAS 860609-92-3), a certified reference material (molecular formula C20H13N3OS2, MW 375.47 g/mol) for analytical method development and quality control.
Based on its molecular formula C20H13N3OS2, N-{2-Cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 375.47 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C20H13N3OS2 |
| Molecular Weight | 375.47 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related N Standards
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Recommended Standards
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- 1-(4-Chloro-3-fluorophenyl)-2-(propan-2-yloxy)ethan-1-ol (CAS 1461709-04-5)
- [2,2'-Bis(diphenylphosphino)-1,1-binaphthyl]rhodium(I)(cyclooctadiene) tetrafluoroborate (CAS 439801-50-0)
- 1,4-Dithiane-2,5-di(methanethiol) (CAS 136122-15-1)
- 3-Amino-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one hydrochloride (CAS 2041076-41-7)
- 1-Benzoyltetrahydropyrimidin-2(1H)-one (CAS 54236-66-7)
- Dimethyl 2-hydroxysuccinate (CAS 1587-15-1)
- 2-BROMO-5-FLUOROBENZALDEHYDE 2-BROMO-5-FLUOROBENZALDHYDE 5-FLUORO-2-BROMO BENZALDEHYDE 94569-84-3 BC002154 BENZALDEHYDE, 2-BROMO-5-FLUORO- (CAS 94569-84-3)
- 1-(3-Chlorophenyl)-3-{1-[2-(2-fluorophenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea (CAS 1796913-84-2)
- Semaglutide impurity 91 (CAS CATO-C4X-222691)
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