4-(4-(tert-Butyl)phenyl)-N-(2-chlorophenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide CAS 148367-91-3
| CAS No. | 148367-91-3 |
| Molecular Formula | C20H18ClN5OS |
| Molecular Weight | 411.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 411.91 g/mol gives 4-(4-(tert-Butyl)phenyl)-N-(2-chlorophenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(4-(tert-Butyl)phenyl)-N-(2-chlorophenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide (CAS 148367-91-3), molecular formula C20H18ClN5OS and molecular weight 411.91 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H18ClN5OS, 4-(4-(tert-Butyl)phenyl)-N-(2-chlorophenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide 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 411.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 4-(4-(tert-Butyl)phenyl)-N-(2-chlorophenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide 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 | C20H18ClN5OS |
| Molecular Weight | 411.91 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-(4-Chlorophenyl)-5-methyl-N-(4-methyl-4,5-dihydrothiazol-2-yl)-3-phenylisoxazole-4-carboxamide (CAS 878090-53-0)
- N-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline (CAS 1040685-95-7)
- 4-{4-[(4-chlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carbonyl}morpholine (CAS 477854-71-0)
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-[2-chloro-4-(tert-pentyl)phenoxy]-2-pyrrolidinecarboxylic acid (CAS 1354485-82-7)
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Why CATO?
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