3-(2,5-Dimethylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one CAS 380436-86-2
| CAS No. | 380436-86-2 |
| Molecular Formula | C18H18N2OS2 |
| Molecular Weight | 342.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(2,5-Dimethylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (CAS 380436-86-2) is a high-purity analytical reference standard with the molecular formula C18H18N2OS2 and a molecular weight of 342.48 g/mol.
3-(2,5-Dimethylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (C18H18N2OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H18N2OS2 |
| Molecular Weight | 342.48 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | 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 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Dimethylphenyl Standards
- 3-(3,4-Dimethylphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one (CAS 592537-72-9)
- 3-(3,5-Dimethylphenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 380346-39-4)
- 1-(3,4-Dimethylphenyl)-7-((2-ethoxyethyl)thio)-4-methyl-1H-pyrazolo[3,4-d]pyridazine (CAS 1105237-98-6)
- 1-(2,3-Dimethylphenyl)-3-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)urea (CAS 1203143-99-0)
- (3,5-Dimethylphenyl)(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851806-73-0)
- N-(2,4-Dimethylphenyl)-2-((3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide (CAS 1058238-75-7)
- 2-((1-(2,3-Dimethylphenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (CAS 851131-65-2)
- 1-((3,5-Dimethylphenyl)amino)-4-hydroxyanthracene-9,10-dione (CAS 499977-61-6)
Recommended Standards
- 2-Mercapto-7-methyl-3-o-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 565179-63-7)
- 2-Mercapto-3-o-tolyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one (CAS 882135-83-3)
- 2,6-Diphenylbenzo[1,2-b:4,5-b′]dithiophene (CAS 219597-02-1)
- 3-Allyl-2-(benzylthio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 324057-32-1)
- 3-(Ethylsulfonyl)-4-methylaniline (CAS 1247650-34-5)
- Anthrarobin (CAS 577-33-3)
- Methyl 3-((naphthalen-2-yloxy)methyl)benzoate (CAS 438464-66-5)
- 1-Benzyl-4,8-dimethyl-1,2-dihydroquinolin-2-one (CAS 343374-00-5)
- 5-(Chlorosulfonyl)-2-(hexadecyloxy)benzoic acid (CAS 5355-07-7)
- 2-Chloro-1-(4-(4-fluorobenzoyl)piperazin-1-yl)ethanone (CAS 1018525-90-0)
- Amisulpride EP Impurity H (CAS 1391054-22-0)
- 5-(4-Chlorophenyl)-4-ethylisoxazole-3-carboxylic acid (CAS 1352496-57-1)
- 5-(3-Fluorophenyl)picolinic acid (CAS 1158763-55-3)
- Peptide Impurity 41 (CAS CATO-CPTD788841)
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