Ethyl 3-(Butylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate CAS 1356113-61-5
| CAS No. | 1356113-61-5 |
| Molecular Formula | C7H2FI2N |
| Molecular Weight | 372.90 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 Ethyl 3-(Butylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate.
Ethyl 3-(Butylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate (CAS 1356113-61-5), molecular formula C7H2FI2N and molecular weight 372.90 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, fluorine/iodine substitution, an aromatic ring system, Ethyl 3-(Butylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 372.90 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.
As a certified reference material (CRM), Ethyl 3-(Butylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate 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 | C7H2FI2N |
| Molecular Weight | 372.90 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- 5-(5-(Butylthio)-4-methyl-4H-1,2,4-triazol-3-yl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 338747-69-6)
- 2-(((5-(sec-Butylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine (CAS 868221-27-6)
- N-((5-(butylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide (CAS 338422-03-0)
- 2-(tert-Butylthio)-5-(1-tosylpyrrolidin-2-yl)pyridine (CAS 1352513-65-5)
- (2-(6-(tert-Butylthio)pyridin-3-yl)piperidin-1-yl)(phenyl)methanone (CAS 1352540-41-0)
- (2-(2-(tert-Butylthio)pyridin-3-yl)piperidin-1-yl)(phenyl)methanone (CAS 1352540-62-5)
- 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile (CAS 339199-79-0)
- 2-(sec-Butylthio)-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 536704-02-6)
Recommended Standards
- N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-chloro-N-pentylbutanamide (CAS 730950-01-3)
- tert-Butyl 4-((6-chloro-2-(methylthio)pyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate (CAS 1261229-88-2)
- n-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-chloro-N-isopentylbutanamide (CAS 734546-68-0)
- tert-Butyl 4-(((6-chloro-2-(methylthio)pyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate (CAS 1261232-62-5)
- Ethyl 2-(2,3-difluoro-6-nitrophenyl)acetate (CAS 960119-19-1)
- 5-((Methylamino)methyl)-1H-1,2,4-triazol-3-ol (CAS 660412-53-3)
- H-Gly-Gly-Arg-Ser-Pro-Ala-Met-Pro-Glu-OH trifluoroacetate salt (CAS 2022956-40-5)
- N-(2-(1-Methyl-1H-imidazol-4-yl)ethyl)acetamide (CAS 64387-74-2)
- (2,2-Diethoxy-1-fluorocyclobutyl)methanol (CAS 2166845-62-9)
- Ethyl 5-bromo-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylate (CAS 1245259-89-5)
- 1-(Bis(ethylthio)methyl)-3-(4-methoxyphenyl)urea (CAS 338752-79-7)
- Ethyl 3-oxohept-6-enoate (CAS 17605-06-0)
- Sugammadex Impurity 83 (CAS 2412952-90-8)
- Human IgE Pentapeptide HEPP (CAS 62087-72-3)
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