2-[(methylthio)carbothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester CAS 155686-60-5
| CAS No. | 155686-60-5 |
| Molecular Formula | C13H17NO2S3 |
| Molecular Weight | 315.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-[(methylthio)carbothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-[(methylthio)carbothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester (CAS 155686-60-5), molecular formula C13H17NO2S3 and molecular weight 315.47 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H17NO2S3, 2-[(methylthio)carbothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 315.47 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), 2-[(methylthio)carbothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester 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 | C13H17NO2S3 |
| Molecular Weight | 315.47 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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.) | 2001 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |
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Recommended Standards
- 4-Ethyl-5-[5-methyl-4-(4-methylphenyl)thien-3-yl]-4H-1,2,4-triazole-3-thiol (CAS 862652-86-6)
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- 4-Ethyl-3-((2-methylbenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 618411-77-1)
- Methyl 3-chloro-5-fluoro-6-iodopicolinate (CAS 514798-20-0)
- N-(1-bromopropan-2-yl)acetamide (CAS 1533685-77-6)
- 2-(2-Ethylpyrrolidin-1-yl)-2-oxoacetic acid (CAS 1178837-33-6)
- 5,6-bis(difluoromethoxy)benzo[d]thiazol-2-amine (CAS 887268-01-1)
- 5-(N,N-Dimethylsulfamoyl)-N-(pyridin-2-yl)furan-2-carboxamide (CAS 1172919-34-4)
- 3,5-Diethoxypicolinonitrile (CAS 36057-52-0)
- (1-(2-(Trifluoromethyl)phenyl)cyclopentyl)methanamine (CAS 1246744-08-0)
- Mal-amido-PEG8-val-gly (CAS 2353409-54-6)
- 2-Chloro-4-methylpyrimidine-5-carbaldehyde (CAS 933685-85-9)
- (4-Isobutyramidophenyl)boronic acid (CAS 874219-50-8)
- Semaglutide impurity 65 (CAS CATO-C4X-222665)
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