1-(2-((4-Chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one CAS 851801-45-1
| CAS No. | 851801-45-1 |
| Molecular Formula | C12H13ClN2OS |
| Molecular Weight | 268.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-(2-((4-Chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one (C12H13ClN2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. 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 268.76 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.
1-(2-((4-Chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one (CAS 851801-45-1) is a high-purity analytical reference standard with the molecular formula C12H13ClN2OS and a molecular weight of 268.76 g/mol.
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 | C12H13ClN2OS |
| Molecular Weight | 268.76 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- (2-((4-Chlorobenzyl)thio)-1-methyl-1H-imidazol-5-yl)methanol (CAS 341965-46-6)
- 1-(2-((3-Chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one (CAS 851807-95-9)
- N-(3-chlorobenzyl)-3-morpholinopropan-1-amine (CAS 626208-39-7)
- N-(4-Chlorobenzyl)quinolin-8-amine (CAS 90266-41-4)
- 2-[(2-Chlorobenzyl)amino]-1,3-thiazole-4-carboxylic acid (CAS 1189749-33-4)
- 3-((2-Chlorobenzyl)oxy)thiophene-2-carboxylic acid (CAS 1285223-04-2)
- 3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid (CAS 339009-58-4)
- (3S)-1-(3-Chlorobenzyl)-3-(hydroxymethyl)-2,5-piperazinedione (CAS 1353548-48-7)
Recommended Standards
- 2-((4-Chlorophenyl)thio)cyclohex-1-ene-1-carboxylic acid (CAS 878612-93-2)
- {2,9-dioxaspiro[5.5]undecan-3-yl}methanesulfonyl chloride (CAS 2091749-03-8)
- 2-Chloro-1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-1h-pyrrol-3-yl]ethan-1-one (CAS 790271-60-2)
- 2-Chloromethyl-7-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 728908-04-1)
- 6-Aminoquinoxalin-2(1H)-one (CAS 69904-06-9)
- 6-Oxaspiro[2.5]octan-1-amine (CAS 1250756-65-0)
- 2-Hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)chroman-4-one (CAS 337467-33-1)
- 5-(Hydroxyimino)-5,6,7,8-tetrahydroquinazolin-2-amine (CAS 1049873-63-3)
- (4-Methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanol (CAS 121933-59-3)
- Upadacitinib Impurity 42 (CAS CATO-C4X-240542)
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- Bis(furan-2-ylmethyl) (4-methyl-1,3-phenylene)dicarbamate (CAS 60387-39-5)
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- Palmitoyl Tripeptide -5 · 2 TFA (CAS 623172-56-5)
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