3-((Benzo[d]oxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione CAS 84586-83-4
| CAS No. | 84586-83-4 |
| Molecular Formula | C16H10ClN3OS3 |
| Molecular Weight | 391.92 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.
3-((Benzo[d]oxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione (CAS 84586-83-4) is a high-purity analytical reference standard with the molecular formula C16H10ClN3OS3 and a molecular weight of 391.92 g/mol.
The molecular framework of 3-((Benzo[d]oxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione (C16H10ClN3OS3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 3-((Benzo[d]oxazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione 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 | C16H10ClN3OS3 |
| Molecular Weight | 391.92 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 | 3 |
| Sulfur Atoms | 3 |
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Recommended Standards
- N-(4-(5-Chlorothiophen-2-yl)thiazol-2-yl)-1-(methylsulfonyl)pyrrolidine-2-carboxamide (CAS 1219145-14-8)
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- Clethodim Sulfone (CAS 111031-17-5)
- 2,4-Diiodo-5-methoxybenzene-1,3-diol (CAS 134810-56-3)
- 2-[2-(4-Fluorophenyl)hydrazono]-3-(4-methoxyphenyl)-3-oxopropanal oxime (CAS 338962-02-0)
- N-(4-chloro-3-fluorophenyl)azetidine-3-carboxamide (CAS 1836999-33-7)
- (2-Bromo-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone (CAS 1380089-50-8)
- (5-Methyl-2,3-dihydrobenzofuran-2-yl)methanesulfonyl chloride (CAS 1518493-95-2)
- Ethyl 4-methyl-3-oxohexanoate (CAS 98192-72-4)
- N-(3-aminopropyl)octanamide (CAS 73772-41-5)
- 1-(4-Methyl-2-phenylthiazol-5-yl)-3-(pyridin-3-yl)prop-2-en-1-one (CAS 1211941-77-3)
- 2-Phenylthiomorpholinehydrochloride (CAS 77082-60-1)
- 5-(Pyrrolidin-2-yl)-1H-1,2,4-triazol-3-ol hydrochloride (CAS 1269062-24-9)
- Tirzepatide Impurity 25 X TFA Salt (CAS CATO-C4X-324025)
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