4-Chloro-7-methyl-2-((phenylthio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine CAS 885459-37-0
| CAS No. | 885459-37-0 |
| Molecular Formula | C18H17ClN2S2 |
| Molecular Weight | 360.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Chloro-7-methyl-2-((phenylthio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine.
4-Chloro-7-methyl-2-((phenylthio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 885459-37-0), molecular formula C18H17ClN2S2 and molecular weight 360.92 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Chloro-7-methyl-2-((phenylthio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (C18H17ClN2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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 360.92 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C18H17ClN2S2 |
| Molecular Weight | 360.92 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 4-Amino-2,6-diiodophenol (CAS 2297-82-7)
- 1-(4-Chlorophenyl)-3-{[(2,3,4,5,6-pentamethylphenyl)methyl]sulfanyl}propan-1-one (CAS 882749-00-0)
- 4,6-Diiodo-N-methylpyrimidin-5-amine (CAS 871027-65-5)
- 4-(Dodecyloxy)benzene-1-sulfonyl chloride (CAS 58076-34-9)
- N-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3(4H)-yl)acetamide (CAS 1105223-59-3)
- N-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-morpholinobutanamide (CAS 89758-17-8)
- 2-(Aminomethyl)-4-(difluoromethyl)-6-methylpyridine-3-acetonitrile (CAS 1806991-84-3)
- 4-{[(4-bromophenyl)sulfanyl]methyl}-5-chloro-1-methyl-3-phenyl-1H-pyrazole (CAS 318234-10-5)
- 1-(1-Cyclopropylvinyl)-4-Fluorobenzene (CAS 827-87-2)
- Ethyl 6-(4-((1,4-dioxaspiro[4.5]Decan-8-yl)methyl)phenyl)-6-oxohexanoate (CAS 898782-10-0)
- Benzyl (1-(5-chloropyrimidin-2-yl)cyclopropyl)carbamate (CAS 1422356-97-5)
- 3-(1,3-benzodioxol-5-yloxy)-2-butanone (CAS 23973-82-2)
- Bis(4-hydroxy-3,5-dimethylphenyl)methanone (CAS 92005-15-7)
- Palmitoyl Tripeptide-8 TFA salt (CAS 936544-53-5)
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