3-(((1h-Benzo[d]imidazol-2-yl)methyl)thio)propanoic acid CAS 6017-12-5
| CAS No. | 6017-12-5 |
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(((1h-Benzo[d]imidazol-2-yl)methyl)thio)propanoic acid (CAS 6017-12-5), molecular formula C11H12N2O2S and molecular weight 236.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(((1h-Benzo[d]imidazol-2-yl)methyl)thio)propanoic acid (C11H12N2O2S) 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 236.29 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.
Physical & Chemical Properties
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.29 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.) | 1958 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-Morpholin-4-yl-1,3-benzothiazol-6-ol (CAS 33670-46-1)
- 3-((1-Methyl-1H-benzo[d]imidazol-2-yl)thio)propanoic acid (CAS 342013-63-2)
- 2-Methyl-1-tosyl-1H-imidazole (CAS 86181-71-7)
- 3-((Furan-2-ylmethyl)thio)-5-methylbenzene-1,2-diol (CAS 923267-55-4)
- 1,3-di-tert-Butyl-5-iodobenzene (CAS 37055-53-1)
- 2-((1,3-Dioxoisoindolin-2-yl)oxy)acetamide (CAS 113211-25-9)
- PF-04880594 (CAS 1111636-35-1)
- 3-Benzyl-3,6-diazabicyclo[3.2.2]nonane (CAS 1373273-51-8)
- n-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide (CAS 22706-08-7)
- 2-Cyclopropoxy-6-ethyl-N,N-dimethylaniline (CAS 1243319-07-4)
- 2,2-Dimethyldihydro-2H-thiopyran-4(3H)-one (CAS 2323-13-9)
- 2-(2,6-Dioxo-3-piperidinyl)-5-mercapto-1H-isoindole-1,3(2H)-dione (CAS 2222119-69-7)
- 2,2'-Dimethyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxylic acid (CAS 1179360-13-4)
- SV40 Nuclear Transport Signal Peptide Analog (CAS 104914-40-1)
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