4-Chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine CAS 885460-28-6
| CAS No. | 885460-28-6 |
| Molecular Formula | C18H14ClF3N2S2 |
| Molecular Weight | 414.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 414.90 g/mol gives 4-Chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 885460-28-6) is a high-purity analytical reference standard with the molecular formula C18H14ClF3N2S2 and a molecular weight of 414.90 g/mol.
Structurally, 4-Chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (C18H14ClF3N2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/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 414.90 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), 4-Chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine 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 | C18H14ClF3N2S2 |
| Molecular Weight | 414.90 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chloro Standards
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(1,3-dithian-2-yl)-1H-indole (CAS 338410-14-3)
- 4-Chloro-6-{4-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-3-yl]piperidin-1-yl}pyrimidin-2-amine (CAS 1026092-90-9)
- 2-[[5-Chloro-2-[(1-isopropyl-3-methyl-5-pyrazolyl)amino]-4-pyridyl]amino]-N-methoxybenzamide (CAS 1224887-10-8)
- N-(4-chloro-3-nitrophenyl)-2-(4-cinnamylpiperazin-1-yl)acetamide (CAS 329080-37-7)
- 1-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CAS 444151-92-2)
- 2-Chloro-N-(3-methyl-1-oxo-1-((4-(pyridin-2-yl)thiazol-2-yl)amino)butan-2-yl)benzamide (CAS 956958-66-0)
- Chloro(cinnamyl)triphenyl-l5-phosphane (CAS 69052-20-6)
- N-(5-Chloro-2-methoxyphenyl)-2-({4-cyano-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2,4,6-trien-5-yl}sulfanyl)acetamide (CAS 728886-14-4)
Recommended Standards
- (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(3-chlorobenzo[b]thiophen-2-yl)methanone (CAS 324774-65-4)
- 2-(4-((4-Chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)ethanol (CAS 1426290-03-0)
- 4-((Anthracen-9-ylmethylene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478253-90-6)
- 4-((Anthracen-9-ylmethylene)amino)-3-(3-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-70-5)
- 1-((Methylsulfonyl)methyl)cyclohexanamine (CAS 1956327-83-5)
- 4-Hydrazinyl-7-methoxyquinoline (CAS 49612-23-9)
- 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CAS 1340538-90-0)
- 898754-91-1 {2-[(Azetidin-1-yl)methyl]phenyl}(2,6-dimethylphenyl)methanone DTXSID50643709 (CAS 898754-91-1)
- 5-(Difluoromethyl)-2-(pyrrolidin-1-yl)pyrimidine (CAS 2128733-65-1)
- 2-(4-methylpyridin-3-yl)acetic acid hydrochloride (CAS 1955547-82-6)
- 1,3,4-Trimethylfuro[3,4-c]quinoline (CAS 88484-95-1)
- H-Leu-His-OH (CAS 38062-72-5)
- Trovafloxacin (CAS 147059-72-1)
- Semaglutide Impurity 124 (CAS CATO-C4X-2226124)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com