2-(Allylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS 112629-71-7
| CAS No. | 112629-71-7 |
| Molecular Formula | C13H14N2S |
| Molecular Weight | 230.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(Allylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 112629-71-7), molecular formula C13H14N2S and molecular weight 230.33 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H14N2S, 2-(Allylthio)-5,6,7,8-tetrahydroquinoline-3-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 230.33 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H14N2S |
| Molecular Weight | 230.33 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Allylthio Standards
- 3-(Allylthio)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 341520-13-6)
- 2-(Allylthio)-3-aminoquinazolin-4(3H)-one (CAS 84704-95-0)
- 2-(Allylthio)-7-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 306979-26-0)
- 2-(Allylthio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one (CAS 306978-75-6)
- 2-(Allylthio)-4-(thiophen-2-yl)pyrimidine (CAS 685107-86-2)
- 5-(Allylthio)-4-phenyl-1,2,3-thiadiazole (CAS 338409-00-0)
- 5-[2-(Allylthio)pyridin-3-yl]-1,3,4-oxadiazol-2(3H)-one (CAS 1219187-15-1)
- 2-(allylthio)-5-fluorobenzo[d]thiazole (CAS 82163-12-0)
Recommended Standards
- 1-Allyl-5-(p-tolyl)-1H-imidazole-2-thiol (CAS 1105189-03-4)
- 2-(Methylthio)-N-(pyridin-3-ylmethyl)aniline (CAS 1154297-07-0)
- 1-(Butylsulfonyl)piperidine-3-carbonitrile (CAS 1087798-45-5)
- tert-Butyl (R)-2-carbamothioylpyrrolidine-1-carboxylate (CAS 117175-41-4)
- 2-(hexahydro-1H-azepin-2-yl)-1-(2-thienyl)-Ethanone, hydrochloride (1:1) (CAS 1384428-79-8)
- Perospirone Hydrochloride (CAS 129273-38-7)
- 5-Fluoro-2-methoxyisonicotinic Acid (CAS 884495-30-1)
- N-Methyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (CAS 1419075-92-5)
- 3-Isopropoxy-4-isopropylphenol (CAS 1243470-89-4)
- Ethyl 2-(6-Chloro-4-pyrimidinyl)acetate (CAS 1261542-34-0)
- tert-butyl 4-phenyl-3,6-dihydrooxazine-2-carboxylate (CAS 874958-10-8)
- Methyl 3-(1-benzyl-4-(4-(2-methoxyphenyl)piperazin-1-yl)piperidin-3-yl)propanoate (CAS 1134331-51-3)
- 6-Isopropylquinoline (CAS 135-79-5)
- Semaglutide impurity 83 (CAS CATO-C4X-222683)
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