2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid CAS 793727-60-3
| CAS No. | 793727-60-3 |
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid 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.
CATO supplies 2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 793727-60-3), a certified reference material (molecular formula C12H15NO3S, MW 253.32 g/mol) for analytical method development and quality control.
Structurally, 2-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid (C12H15NO3S) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 253.32 g/mol, it falls into the medium-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.
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-({[(propan-2-yl)carbamoyl]methyl}sulfanyl)benzoic acid 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 | C12H15NO3S |
| Molecular Weight | 253.32 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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