Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methylthiophene-3-carboxylate CAS 956576-58-2
| CAS No. | 956576-58-2 |
| Molecular Formula | C13H16N2O3S2 |
| Molecular Weight | 312.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 312.41 g/mol gives Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methylthiophene-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methylthiophene-3-carboxylate (CAS 956576-58-2), a certified reference material (molecular formula C13H16N2O3S2, MW 312.41 g/mol) for analytical method development and quality control.
Structurally, Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methylthiophene-3-carboxylate (C13H16N2O3S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 312.41 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.
CATO manufactures Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methylthiophene-3-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H16N2O3S2 |
| Molecular Weight | 312.41 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Methyl Standards
- N'-(4-(Diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide (CAS 140405-36-3)
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- 4-(Diethylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde (CAS 1707571-59-2)
- 4-(Diethylamino)-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde (CAS 1710833-92-3)
- 2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid (CAS 5809-23-4)
- 2-((4-(Diethylamino)benzylidene)amino)-4,5-dimethylthiophene-3-carbonitrile (CAS 321945-15-7)
- 2-[4-[2-(Diethylamino)ethoxy]phenyl]-1-phenylethanone (CAS 35258-44-7)
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Recommended Standards
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- Conquinamine (CAS 464-86-8)
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- (3aR,7aR)-1,3-Bis(4-methoxybenzyl)octahydro-1H-benzo[d][1,3,2]diazaphosphole 2-oxide (CAS 2576501-87-4)
- 2-(Dimethylamino)-5-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4(3H)-one (CAS 1707566-64-0)
- (5,7-Dichloro-2,3-dihydrobenzofuran-4-yl)boronic acid (CAS 1046861-87-3)
- Methyl 6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CAS 695202-42-7)
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- N-Tosylformamide (CAS 4917-56-0)
- 2-Cyano-N-(2,2-dimethylthietan-3-yl)propanamide (CAS 1864279-08-2)
- 6-Methylpyrazolo[1,5-a]pyrimidine (CAS 61578-00-5)
- Endo-Gly4-Semaglutide (CAS CATO-C4X-222679)
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