3-((2-Chlorobenzyl)thio)-2H-benzo[b][1,4]thiazine CAS 477868-77-2
| CAS No. | 477868-77-2 |
| Molecular Formula | C15H12ClNS2 |
| Molecular Weight | 305.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 3-((2-Chlorobenzyl)thio)-2H-benzo[b][1,4]thiazine 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.
3-((2-Chlorobenzyl)thio)-2H-benzo[b][1,4]thiazine (CAS 477868-77-2) is a high-purity analytical reference standard with the molecular formula C15H12ClNS2 and a molecular weight of 305.85 g/mol.
Structurally, 3-((2-Chlorobenzyl)thio)-2H-benzo[b][1,4]thiazine (C15H12ClNS2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 305.85 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C15H12ClNS2 |
| Molecular Weight | 305.85 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Chlorobenzyl Standards
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- 6-((4-Chlorobenzyl)thio)imidazo[2,1-b]thiazole-5-carbonitrile (CAS 303996-43-2)
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- 5-(2-Chlorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CAS 477854-37-8)
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Recommended Standards
- 7-Benzyl-4-chloro-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CAS 859826-11-2)
- 2,3-Dibromo-4,5,6-trifluorophenol (CAS 19758-04-4)
- Chlorpheniramine Nitrile-d6 (CAS 1329488-38-1)
- 2,4-Dibromo-3,5,6-trifluorophenol (CAS 28520-20-9)
- 6-Bromo-5-chloropicolinic acid (CAS 1214328-42-3)
- Cyclopentyl 2-(2-methoxyphenyl)ethyl ketone (CAS 898774-31-7)
- (3-Chlorophenyl)(6-chloropyridin-3-yl)methanone (CAS 1187168-11-1)
- 1-(3-Methyl-1-benzothiophen-2-yl)ethan-1-amine (CAS 159009-28-6)
- (R)-1-(thiophen-3-yl)pentan-1-amine (CAS 1213487-99-0)
- 3-Anilinopropanoic Acid (CAS 5652-38-0)
- tert-Butyl 4-(3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate (CAS 1205638-05-6)
- 2-ETHYLPROPANE-1,3-DIYL BIS(4-METHYLBENZENESULFONATE) (CAS 24330-55-0)
- 1-Cyclopentyl-3-ethyl-1H-indazol-6-amine (CAS 652158-88-8)
- Semaglutide Impurity 130 (CAS 1188328-40-6)
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