4-Chloro-N-{[(methylcarbamoyl)amino]methanethioyl}benzamide CAS 138712-76-2
| CAS No. | 138712-76-2 |
| Molecular Formula | C10H10ClN3O2S |
| Molecular Weight | 271.72 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.
4-Chloro-N-{[(methylcarbamoyl)amino]methanethioyl}benzamide (CAS 138712-76-2) is a high-purity analytical reference standard with the molecular formula C10H10ClN3O2S and a molecular weight of 271.72 g/mol.
4-Chloro-N-{[(methylcarbamoyl)amino]methanethioyl}benzamide (C10H10ClN3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H10ClN3O2S |
| Molecular Weight | 271.72 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 1-(2-Chloro-6-fluorobenzyl)piperidine-2-carboxylic acid (CAS 1039264-43-1)
- 2-Chloro-N-((methylcarbamoyl)carbamothioyl)benzamide (CAS 138712-72-8)
- Ethyl 4-chloro-2-(methylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate (CAS 1638764-53-0)
- 4-Chloro-N-(furan-2-ylmethyl)benzenesulfonamide (CAS 196813-49-7)
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- 3-chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methylacrylonitrile (CAS 680215-63-8)
- 3-Chloro-N-((methylcarbamoyl)carbamothioyl)benzamide (CAS 306976-43-2)
Recommended Standards
- 2-methyl-5-(4-methyl-1,3-oxazol-2-yl)benzene-1-sulfonyl chloride (CAS 1512753-16-0)
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- 3-(4-Chlorophenyl)-1-methyl-5-(methylsulfonyl)-1H-1,2,4-triazole (CAS 154106-11-3)
- 1-(2-Chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CAS 1291749-03-5)
- (1's,4'r)-4'-Propyl-[1,1'-bi(cyclohexan)]-3-ene-4-carbonitrile (CAS 98321-53-0)
- 2,3,8,9,14,15-Hexafluorodiquinoxalino[2,3-a:2',3'-c]phenazine (CAS 872140-95-9)
- (1Z,2E)-N-Hydroxy-2-(hydroxyimino)propanimidamide (CAS 4937-85-3)
- 3-Amino-n-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 948165-69-3)
- 1-(6-Ethoxy-1H-benzo[d]imidazol-2-yl)ethan-1-ol (CAS 540515-45-5)
- Methyl 2-(1-(4-chlorobenzyl)piperidin-4-yl)acetate (CAS 946773-91-7)
- Thymol O-β-D-Glucuronide (CAS 7702-71-8)
- 2-Chloro-5-fluorobenzaldehyde (CAS 84194-30-9)
- 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(2,3-dichlorophenyl)thiourea (CAS 326815-14-9)
- Nonapeptide-1 (CAS 158563-45-2)
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