2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,3,4-oxadiazole CAS 478077-29-1
| CAS No. | 478077-29-1 |
| Molecular Formula | C17H11Cl2N3OS2 |
| Molecular Weight | 408.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,3,4-oxadiazole (CAS 478077-29-1), molecular formula C17H11Cl2N3OS2 and molecular weight 408.32 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H11Cl2N3OS2, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,3,4-oxadiazole contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 408.32 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C17H11Cl2N3OS2 |
| Molecular Weight | 408.32 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related dichlorophenyl Standards
- 4-(2,4-Dichlorophenyl)-6-(4-methylphenyl)-2-(pyrrolidin-1-yl)pyridine-3-carbonitrile (CAS 341964-92-9)
- 1-(3,5-Dichlorophenyl)-5-(4-methanesulfonylphenyl)-2-methyl-1H-pyrrole-3-carbaldehyde (CAS 338749-87-4)
- 1-(4-{[(3,4-dichlorophenyl)sulfonyl]methyl}-4-hydroxypiperidino)-3-methyl-1-butanone (CAS 865659-57-0)
- 4-(2,4-Dichlorophenyl)-N,N-dimethyl-5-(phenylsulfonyl)pyrimidin-2-amine (CAS 339107-80-1)
- Methyl 4-{4-[(3,4-dichlorophenyl)methoxy]-5-methyl-1,3-thiazol-2-yl}benzoate (CAS 338409-56-6)
- N-(2,3-dichlorophenyl)-2-((3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide (CAS 329079-81-4)
- N-(2,5-Dichlorophenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 577765-20-9)
- N-(3,4-Dichlorophenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 577986-10-8)
Recommended Standards
- 2-((5-(4-Bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 775311-24-5)
- (E)-2-(Trifluoromethyl)-N'-((E)-3-(2,4,6-trifluorophenyl)allylidene)benzenesulfonohydrazide (CAS 2786662-96-0)
- 4-(2,6-Difluorobenzoyl)-N-(3-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide (CAS 439112-13-7)
- 4,4'-(1,4-Phenylene)bis(pyridine-2,6-dicarboxylic acid) (CAS 164173-99-3)
- Tert-butyl (1S,5S)-2-oxo-3,6-diazabicyclo[3.2.1]Octane-6-carboxylate (CAS 1932413-16-5)
- 3,7-Dimethyl-1H-indazole (CAS 58706-32-4)
- Pyridin-2-ylmethanol hydrochloride (CAS 6329-89-1)
- 2,5-Difluorobenzene-1-thiol (CAS 77380-28-0)
- 2-(4,6-Bis(ethylamino)-1,3,5-triazin-2-yl)-N-(p-tolyl)hydrazine-1-carbothioamide (CAS 438031-40-4)
- 1-[(4-Bromophenyl)methyl]-4-nitro-1h-pyrazole (CAS 333311-66-3)
- Sertraline Impurity 52 HCl (CAS CATO-C4X-134452)
- 4-Amino-2,6-dibromonicotinaldehyde (CAS 1935040-66-6)
- (5-Methylnaphthalen-1-yl)(thiophen-2-yl)methanol (CAS 944685-03-4)
- Peptide Impurity 12 (CAS CATO-CPTD788812)
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