3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one CAS 6516-91-2
| CAS No. | 6516-91-2 |
| Molecular Formula | C10H11NOS |
| Molecular Weight | 193.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CAS 6516-91-2), molecular formula C10H11NOS and molecular weight 193.27 g/mol, is a CATO reference standard with documented purity and traceability.
3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (C10H11NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C10H11NOS |
| Molecular Weight | 193.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | 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.) | 1958 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related methyl Standards
- 8-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CAS 110766-86-4)
- 3-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-5-one (CAS 24187-66-4)
- 7-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CAS 27943-30-2)
- 2-((Tetrahydro-2h-pyran-4-yl)sulfonyl)ethan-1-amine (CAS 933757-48-3)
- 2-Methyl-1-(4,5,6,7-tetrahydro-1h-benzo[d]imidazol-2-yl)propan-1-amine (CAS 1428234-21-2)
- N2-(Tetrahydro-2-furanylmethyl)-2,3-pyridinediamine (CAS 1040063-89-5)
- N3-(tetrahydro-2H-pyran-4-yl)pyridine-3,5-diamine (CAS 1565408-27-6)
- 1-(2,3,4,5-Tetrahydro-1,4-benzoxazepin-7-yl)ethanol (CAS 1314913-84-2)
Recommended Standards
- 4-(Thiophen-2-yl)tetrahydro-2H-pyran-4-carbonitrile (CAS 880166-17-6)
- 3-Methyl-1-(thiophen-2-ylmethyl)-1h-pyrazol-5-amine (CAS 4394-28-9)
- 4-Ethyl-2-hydrazino-1,3-benzothiazole (CAS 872696-01-0)
- 3-Ethyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine (CAS 955584-79-9)
- 2-[4-Fluoro-N-(2-hydroxyethyl)-3-nitroanilino]ethanol (CAS 29705-38-2)
- (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (CAS 1164526-19-5)
- methyl N-[4-(chlorosulfonyl)-2-nitrophenyl]carbamate (CAS 1601259-20-4)
- 2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid (CAS 1823856-75-2)
- Irinotecan Impurity 30 (CAS CATO-C4X-166730)
- (S)-tert-Butyl (1-(oxazol-5-yl)ethyl)carbamate (CAS 196819-41-7)
- 1-(4-Nitrophenyl)-2-(phenylselanyl)ethanone (CAS 104755-32-0)
- (2-Aminopropyl)(ethyl)amine (CAS 68713-14-4)
- 4-Chloro-3-methoxy-1-methyl-1H-pyrazole-5-carbonyl chloride (CAS 170788-56-4)
- Tetrapeptide-3 (CAS 827306-97-8)
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