1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine CAS 956576-69-5
| CAS No. | 956576-69-5 |
| Molecular Formula | C14H18N2O2S2 |
| Molecular Weight | 310.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine (CAS 956576-69-5), molecular formula C14H18N2O2S2 and molecular weight 310.43 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine (C14H18N2O2S2) 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 310.43 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.
As a certified reference material (CRM), 1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine 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 | C14H18N2O2S2 |
| Molecular Weight | 310.43 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 Isothiocyanatophenyl Standards
- 1-[(4-Isothiocyanatophenyl)sulfonyl]-2,6-dimethylpiperidine (CAS 956576-68-4)
- 2-Ethyl-1-[(4-isothiocyanatophenyl)sulfonyl]-piperidine (CAS 956576-78-6)
- 4-Isothiocyanatophenyl α-D-Mannopyranoside (CAS 96345-79-8)
- 4-Isothiocyanatophenyl-β-D-glucopyranoside (CAS 20581-41-3)
- p-Isothiocyanatophenyl α-D-Glucopyranoside (CAS 20581-45-7)
- 1-[(4-Isothiocyanatophenyl)sulfonyl]indoline (CAS 895935-43-0)
- 1-[(4-Isothiocyanatophenyl)sulfonyl]-3-methylpiperidine (CAS 111032-35-0)
- 1-[(4-Isothiocyanatophenyl)sulfonyl]-4-methylpiperidine (CAS 111032-36-1)
Recommended Standards
- 1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine (CAS 61380-02-7)
- 1,4-Bis(4-methylstyryl)benzene (CAS 76439-00-4)
- 2-((4-(9H-Carbazol-9-yl)butyl)amino)-2-methylpropan-1-ol (CAS 919033-63-9)
- 1,4-Bis(4-methylstyryl)benzene (CAS 58358-54-6)
- 5-[(2-methylpropoxy)methyl]furan-2-carbaldehyde (CAS 887400-99-9)
- 1-Ethyl-3-methyl-1H-imidazol-3-ium (S)-2-hydroxypropanoate (CAS 878132-19-5)
- ethyl 2-(1H-imidazol-2-yl)acetate (CAS 791569-71-6)
- 2-(4-Methylpiperidin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide (CAS 1704120-84-2)
- 6-Fluoro-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine (CAS 1369334-14-4)
- [{2-[3-(Aminocarbonyl)piperidin-1-yl]-2-oxoethyl}(4-methoxyphenyl)amino]acetic acid (CAS 1142205-80-8)
- 4-((2,3-Dihydro-2-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)methyl)benzoic Acid (CAS 900706-47-0)
- 2-((4-(4-Chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone (CAS 575466-45-4)
- (2S,3R)-3-(Ethylthio)pyrrolidine-2-carboxylic acid (CAS 79068-18-1)
- Peptide 434 (CAS CATO-CPTD788434)
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