2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 618879-78-0
| CAS No. | 618879-78-0 |
| Molecular Formula | C19H18Cl2N2OS2 |
| Molecular Weight | 425.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 618879-78-0), molecular formula C19H18Cl2N2OS2 and molecular weight 425.40 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 425.40 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C19H18Cl2N2OS2 |
| Molecular Weight | 425.40 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Dichlorobenzyl Standards
- 2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 587012-18-8)
- 2-((3,4-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351007-56-2)
- 2-((2,6-Dichlorobenzyl)thio)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 339277-22-4)
- 2-((3,4-Dichlorobenzyl)thio)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 339277-04-2)
- 3-(3,4-Dichlorobenzyl)-1-ethyl-4-tosyl-1,3-dihydro-2H-imidazol-2-one (CAS 383148-73-0)
- 1-(2,6-Dichlorobenzyl)-3-((4-methoxyphenyl)imino)-5-methylindolin-2-one (CAS 478043-08-2)
- N3-(2,4-dichlorobenzyl)-N3-propyl-6-chloro-4-(trifluoromethyl)nicotinamide (CAS 680213-98-3)
- 3-(2,6-Dichlorobenzyl)-2-methyl-1-(3-(trifluoromethyl)benzyl)pyridin-4(1H)-one (CAS 339017-50-4)
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