5,6-Dichlorobenzo[d]thiazole-2(3H)-thione CAS 80087-69-0
| CAS No. | 80087-69-0 |
| Molecular Formula | C7H3Cl2NS2 |
| Molecular Weight | 236.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5,6-Dichlorobenzo[d]thiazole-2(3H)-thione is closely related to a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5,6-Dichlorobenzo[d]thiazole-2(3H)-thione (CAS 80087-69-0), molecular formula C7H3Cl2NS2 and molecular weight 236.14 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C7H3Cl2NS2, 5,6-Dichlorobenzo[d]thiazole-2(3H)-thione contains a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 236.14 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.
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 | C7H3Cl2NS2 |
| Molecular Weight | 236.14 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Dichlorobenzo Standards
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- tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate (CAS 1228556-99-7)
- 1172826-24-2 2-Ethyl-4-(3-methylphenyl)pyrimidine-5-carboxylic acid 9918AC C14H14N2O2 (CAS 1172826-24-2)
- 2-methyl-3-(piperidin-1-yl)propan-1-amine (CAS 53485-09-9)
- N'-((2-Oxo-1,2-dihydroquinolin-3-yl)methylene)tetradecanehydrazide (CAS 881664-59-1)
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