5-(3-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol CAS 26028-64-8
| CAS No. | 26028-64-8 |
| Molecular Formula | C12H14ClN3S |
| Molecular Weight | 267.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 5-(3-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol (C12H14ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 267.78 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
5-(3-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol (CAS 26028-64-8) is a high-purity analytical reference standard with the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol.
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.
CATO manufactures 5-(3-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H14ClN3S |
| Molecular Weight | 267.78 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 1964 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 4-Butyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 92696-66-7)
- 5-(4-Chlorophenyl)-4-isobutyl-4h-1,2,4-triazole-3-thiol (CAS 23711-26-4)
- 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-3,5-dimethyl-1,2-oxazole (CAS 303985-15-1)
- 5-(4-Chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol (CAS 610276-80-7)
- 4-[4-(3-Chlorophenyl)piperazino]butylamine (CAS 116331-14-7)
- 1-(4-(4-Chlorophenyl)piperazin-1-yl)-2-methylpropan-2-amine (CAS 1306199-31-4)
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Recommended Standards
- 5-(2-Chloroethyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-amine (CAS 879362-81-9)
- 5-Chloro-4-methyl-2-piperazin-1-yl-1,3-benzothiazole (CAS 941869-97-2)
- 4-(4-(Chloromethyl)piperidin-1-yl)thieno[3,2-d]pyrimidine (CAS 912569-69-8)
- 6-Chloro-2-(1,4-diazepan-1-yl)benzo[d]thiazole (CAS 348134-09-8)
- 3-((2,6-Dichlorophenyl)sulfonamido)propanoic acid (CAS 612042-78-1)
- 2-(Aminomethyl)-4-chloro-3-(difluoromethyl)-5-iodopyridine (CAS 1805062-59-2)
- 2-(1-Methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-amine (CAS 1092309-84-6)
- (4-Fluorobenzo[d][1,3]dioxol-5-yl)boronic acid (CAS 943830-75-9)
- 2-Amino-N-methyl-N-(2-oxo-2-(pyrazin-2-yl)ethyl)acetamide (CAS 1353948-43-2)
- 3-(4-Fluorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid (CAS 117291-16-4)
- 2-(2-(2-Isopropyl-1H-imidazol-1-yl)ethyl)piperidine (CAS 1247602-76-1)
- 1-Bromotetradecane (CAS 112-71-0)
- Alvespimycin (CAS 467214-20-6)
- Peptide YY (human) trifluoroacetate salt (CAS 118997-30-1)
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