3-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione CAS 84586-84-5
| CAS No. | 84586-84-5 |
| Molecular Formula | C16H11ClN4S3 |
| Molecular Weight | 390.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione.
CATO supplies 3-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione (CAS 84586-84-5), a certified reference material (molecular formula C16H11ClN4S3, MW 390.93 g/mol) for analytical method development and quality control.
Structurally, 3-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione (C16H11ClN4S3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 390.93 g/mol, it falls into the moderately-high-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.
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.
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 | C16H11ClN4S3 |
| Molecular Weight | 390.93 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1981 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 3 |
Related H Standards
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Recommended Standards
- 2-((4-Chlorobenzyl)thio)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 338412-82-1)
- 3-((4-Chlorobenzyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315246-88-9)
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- 3-(Benzylsulfanyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 439096-90-9)
- [2,2'-Bipyridine]-5,5'-dicarboximidamide (CAS 1247799-54-7)
- (S)-4,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid (CAS 1217832-12-6)
- 4,4'-((2R,3S)-Butane-2,3-diyl)bis(chlorobenzene) (CAS 64985-93-9)
- 3-Isopropyl-7-methoxy-1H-indazole (CAS 1415740-57-6)
- N-(2-Chloro-4,6-dimethylphenyl)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 476483-97-3)
- (2S)-2-((2S)-2-Acetamido-2-(4-(hydroxyhydrophosphoryl)butanamido)propanamido)propanoic acid (CAS 845880-13-9)
- 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-amine (CAS 1344005-75-9)
- 2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)-N-(2-(thiophen-2-yl)ethyl)acetamide (CAS 942856-71-5)
- 56792-59-7 27-hydroxy cholestenone (CAS 56792-59-7)
- Liraglutide-d8 Tritrifluoroacetate (CAS CATO-C4X-199223)
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