2-(Benzylthio)-5-((4-bromobenzyl)thio)-1,3,4-thiadiazole CAS 477331-46-7
| CAS No. | 477331-46-7 |
| Molecular Formula | C16H13BrN2S3 |
| Molecular Weight | 409.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 409.39 g/mol gives 2-(Benzylthio)-5-((4-bromobenzyl)thio)-1,3,4-thiadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(Benzylthio)-5-((4-bromobenzyl)thio)-1,3,4-thiadiazole (CAS 477331-46-7), molecular formula C16H13BrN2S3 and molecular weight 409.39 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Benzylthio)-5-((4-bromobenzyl)thio)-1,3,4-thiadiazole (C16H13BrN2S3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 409.39 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-(Benzylthio)-5-((4-bromobenzyl)thio)-1,3,4-thiadiazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H13BrN2S3 |
| Molecular Weight | 409.39 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Related Benzylthio Standards
- 2-(Benzylthio)-1-(2,4-dichloro-5-(2-methoxyethoxy)phenyl)-1H-imidazole (CAS 338967-20-7)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3,4-difluorophenyl)acetamide (CAS 477330-80-6)
- 4-(Benzylthio)-5-nitro-7H-pyrrolo[2,3-d]pyrimidine (CAS 22277-05-0)
- 2-(Benzylthio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 314764-23-3)
- 6-(Benzylthio)-2-iodo-9-isopropyl-9H-purine (CAS 403620-92-8)
- 6,6-Bis(benzylthio)hexane-1,2,3,4,5-pentaol (CAS 40733-07-1)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 477331-45-6)
- 5-(Benzylthio)-1-(2,4-dichloro-5-(2-methoxyethoxy)phenyl)-1H-tetrazole (CAS 400085-65-6)
Recommended Standards
- 2-(4-(Naphthalen-2-yloxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 352671-43-3)
- 2-(Methacryloyloxy)ethyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 939888-98-9)
- (E)-N'-(4-methoxybenzylidene)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carbohydrazide (CAS 956209-12-4)
- Diethyl 1-(3-nitrophenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate (CAS 96722-70-2)
- 67910-07-0 Homobaldrinal Butanoic acid, 3-methyl-, (7-formylcyclopenta(c)pyran-4-yl)methyl ester CCRIS 2664 (CAS 67910-07-0)
- 5-(3-Chloro-4-fluorophenoxy)pentanenitrile (CAS 1443351-13-0)
- (S)-N-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine (CAS 2107776-76-9)
- 5-(1,1-Difluoroethyl)-1H-pyrazole-3-carboxylic acid (CAS 681034-53-7)
- 4-(1,4-Diazepan-1-yl)butanenitrile (CAS 1016744-05-0)
- 4-Bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nitrobenzene (CAS 1713163-19-9)
- 3-Bromo-2-methyl-6-nitroaniline (CAS 860751-71-9)
- 3-(Phenylsulfinyl)-1H-indole-2-carboxylic acid (CAS 1173740-07-2)
- Fluoxetine Impurity 40 (CAS 175359-21-4)
- Q-Peptide trifluoroacetate salt (CAS 1361235-89-3)
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