2-(1,3-Benzoxazol-2-ylthio)nicotinonitrile CAS 172886-26-9
| CAS No. | 172886-26-9 |
| Molecular Formula | C13H7N3OS |
| Molecular Weight | 253.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 253.28 g/mol gives 2-(1,3-Benzoxazol-2-ylthio)nicotinonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(1,3-Benzoxazol-2-ylthio)nicotinonitrile (CAS 172886-26-9), molecular formula C13H7N3OS and molecular weight 253.28 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(1,3-Benzoxazol-2-ylthio)nicotinonitrile (C13H7N3OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H7N3OS |
| Molecular Weight | 253.28 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Benzoxazol Standards
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Recommended Standards
- 2-(1-(Ethylsulfonyl)-1H-pyrazol-4-yl)pyrimidin-4-amine (CAS 1612173-67-7)
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- ethyl 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxylate (CAS 1803608-12-9)
- 3-Hydroxy-N-(4-methoxyphenyl)-2-naphthamide (CAS 92-79-5)
- Ethyl 5-amino-1-(3-chlorophenyl)-4-cyanopyrazole-3-carboxylate (CAS 96734-87-1)
- 2-Chloro-n-methyl-4-nitrobenzamide (CAS 90110-20-6)
- 5-(Pyridin-2-yl)isoxazole-4-carboxylic acid (CAS 954230-71-8)
- 1-(2-Pyridyl)-2-propyn-1-ol (CAS 276884-47-0)
- Zeolite ZSM-5 (CAS 308081-08-5)
- 1,3-Dimethyl-6-(pyrrolidin-1-yl)cyclohepta[c]pyrrole (CAS 89992-49-4)
- Rivaroxaban impurity 194 (CAS CATO-C4X-1090194)
- (3-Bromo-5-fluorophenyl)(5-chloropyridin-2-yl)methanone (CAS 2097065-09-1)
- [3-31]-Semaglutide D (CAS C152H230N42O47)
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