2-(Benzylthio)-5-((2,4-dichlorobenzyl)thio)-1,3,4-thiadiazole CAS 477331-30-9
| CAS No. | 477331-30-9 |
| Molecular Formula | C16H12Cl2N2S3 |
| Molecular Weight | 399.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(Benzylthio)-5-((2,4-dichlorobenzyl)thio)-1,3,4-thiadiazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(Benzylthio)-5-((2,4-dichlorobenzyl)thio)-1,3,4-thiadiazole (CAS 477331-30-9), molecular formula C16H12Cl2N2S3 and molecular weight 399.38 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H12Cl2N2S3, 2-(Benzylthio)-5-((2,4-dichlorobenzyl)thio)-1,3,4-thiadiazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 399.38 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H12Cl2N2S3 |
| Molecular Weight | 399.38 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Related Benzylthio Standards
- 2-(Benzylthio)-5-((2,6-dichlorobenzyl)thio)-1,3,4-thiadiazole (CAS 476486-09-6)
- 2-(Benzylthio)-5-((3,4-dichlorobenzyl)thio)-1,3,4-thiadiazole (CAS 477333-31-6)
- 2-(Benzylthio)-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-1,3,4-oxadiazole (CAS 956613-25-5)
- 2-(Benzylthio)-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-4(3H)-imine (CAS 477848-79-6)
- 2-(Benzylthio)-1-(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)ethan-1-one (CAS 1226427-64-0)
- 2-(Benzylthio)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide (CAS 920364-76-7)
- 4-(Benzylthio)-N-(4H-chromeno[4,3-d]thiazol-2-yl)butanamide (CAS 923474-58-2)
- 2-(5-(Benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]quinoline (CAS 478260-40-1)
Recommended Standards
- N-(2-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775503-49-5)
- N-(4-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775402-77-1)
- N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775345-40-8)
- 2-Nitro-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)benzamide (CAS 455886-80-3)
- 2-[(diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 54559-45-4)
- 1-((5-Chlorothiophen-2-yl)methyl)piperidin-4-amine (CAS 1039895-17-4)
- 1-Mercapto-5-carbomethoxy-pentane (CAS 20756-86-9)
- 4-(Pentan-3-yl)benzenamine (CAS 69800-94-8)
- (E)-{[4-(tert-butylsulfanyl)-3-nitrophenyl]methylidene}[(2,6-dichlorophenyl)methoxy]amine (CAS 303996-35-2)
- Anthracen-9-ylmethanamine;hydrochloride (CAS 18004-58-5)
- 5,7-Dichloroimidazo[1,2-α]pyrimidine (CAS 57473-32-2)
- Bilastine Impurity 53 (CAS CATO-C4X-225353)
- Ethyl 1',4',6',7'-tetrahydrospiro[cyclopropane-1,5'-indazole]-3'-carboxylate (CAS 2102412-29-1)
- Compstatin control peptide (CAS 301544-78-5)
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