3-(Phenoxymethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5(4H)-thione CAS 21358-14-5
| CAS No. | 21358-14-5 |
| Molecular Formula | C16H15N3OS |
| Molecular Weight | 297.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-(Phenoxymethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5(4H)-thione (C16H15N3OS) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
3-(Phenoxymethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 21358-14-5) is a high-purity analytical reference standard with the molecular formula C16H15N3OS and a molecular weight of 297.37 g/mol.
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 | C16H15N3OS |
| Molecular Weight | 297.37 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Phenoxymethyl Standards
- 4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 309734-79-0)
- (2-(Phenoxymethyl)cyclopropane-1,1-diyl)dibenzene (CAS 762273-34-7)
- 3-(phenoxymethyl)-5-(trichloromethyl)-1,2,4-oxadiazole (CAS 1423031-17-7)
- 1,2-Di(phenoxymethyl)benzene (CAS 10403-74-4)
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- 5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 21358-13-4)
- 4-(Phenoxymethyl)benzene-1-sulfonyl chloride (CAS 1002727-89-0)
- 2-(Phenoxymethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 361472-91-5)
Recommended Standards
- 3-(Cinnamylthio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole (CAS 577694-07-6)
- 3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid (CAS 328028-36-0)
- 3-(Benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 331962-40-4)
- 3-[4-(piperidine-1-sulfonyl)phenyl]propanoic acid (CAS 327091-05-4)
- 4-Amino-3-cycloheptyl-6,7-dimethoxyquinazoline-2(3H)-thione (CAS 477848-87-6)
- 6-Methoxy-3-methyl-N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)benzofuran-2-carboxamide (CAS 1206994-08-2)
- Sodium 1-benzyl-5-(methoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-olate hydrate (CAS 213534-31-7)
- 1-(4-Amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one (CAS 91481-02-6)
- 7-Methyl-1,8,10,11,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene (CAS 860651-02-1)
- (R)-6,8-Dihydroxy-3-(((2R,6S)-6-methyltetrahydro-2H-pyran-2-yl)methyl)isochroman-1-one (CAS 35818-31-6)
- (S)-2-((tert-butoxycarbonyl)amino)-3-(3-chloro-4-hydroxyphenyl)propanoic acid (CAS 192315-36-9)
- Tert-butyl 4-(2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)piperidine-1-carboxylate (CAS 1310405-34-5)
- 1-(2,5-Dimethyl-phenyl)-2-(1,3-dioxolan-2-yl)-ethanone (CAS 1263366-11-5)
- Endo-38a-Pro-Exenatide trifluoroacetate salt (CAS 1678416-95-9)
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