2-((3-Chlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 618879-74-6
| CAS No. | 618879-74-6 |
| Molecular Formula | C19H19ClN2OS2 |
| Molecular Weight | 390.95 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.
2-((3-Chlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 618879-74-6), molecular formula C19H19ClN2OS2 and molecular weight 390.95 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((3-Chlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C19H19ClN2OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 390.95 g/mol, it falls into the moderately-high-molecular-weight range. 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), 2-((3-Chlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one 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 | C19H19ClN2OS2 |
| Molecular Weight | 390.95 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chlorobenzyl Standards
- 2-((2-Chlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 578723-52-1)
- 2-((2-Chlorobenzyl)thio)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 339277-44-0)
- 2-((4-Chlorobenzyl)thio)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 338412-82-1)
- 3-((4-Chlorobenzyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315246-88-9)
- N-(2-(4-Chlorobenzyl)benzo[d]oxazol-5-yl)-4-ethylbenzamide (CAS 785836-67-1)
- 1-(4-Chlorobenzyl)-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (CAS 478258-84-3)
- (Z)-1-(4-chlorobenzyl)-3-(((4-chlorobutanoyl)oxy)imino)indolin-2-one (CAS 303149-77-1)
- 2-(5-(Bis(4-chlorobenzyl)amino)-2H-tetrazol-2-yl)acetamide (CAS 338777-87-0)
Recommended Standards
- Meclizine Impurity N2 (CAS 713071-37-5)
- Ethyl 5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-2-thioxo-1,3-dithiole-4-carboxylate (CAS 105623-82-3)
- 5-Chloro-4-{[(4-methoxyphenyl)sulfanyl]methyl}-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazole (CAS 318248-74-7)
- 3,5-Diiodo-4-methoxy-1-methylpyridin-2(1H)-one (CAS 920490-66-0)
- 3624-68-8 Sodium 6-(5-chloro-2-hydroxy-4-sulphophenylazo)-5-hydroxynaphthalene-1-sulphonate 1-Naphthalenesulfonic acid, 6-(2-(5-chloro-2-hydroxy-3-sulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:2) 1-Naphthalenesulfonic acid, 6-((5-chloro-2-hydroxy-3-sulfophenyl)azo)-5-hydroxy-, disodium salt EINECS 222-828-3 C.I. Mordant Blue 9, disodium salt (CAS 3624-68-8)
- 1-(3,5-Dichlorophenyl)cyclobutanecarbonitrile (CAS 1314648-87-7)
- N-methyl-4-(piperazin-1-ylmethyl)aniline (CAS 954240-22-3)
- 1-(1-Amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine (CAS 1156831-47-8)
- N-(3-(6-(dimethylamino)-4-(trifluoromethyl)pyridin-2-yl)benzyl)-N-methylglycine (CAS 1311279-02-3)
- Azithromycin impurity 55 (CAS 944124-75-8)
- Irbesartan Impurity 14 (CAS 210037-90-4)
- Mivacurium chloride Impurity 26 (CAS 73554-57-1)
- 4-Hydroxy-3-nitrocinnamic acid (CAS 19006-46-3)
- Antifreeze Polypeptide 6 (winter flounder) trifluoroacetate salt (CAS 122604-16-4)
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