3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide CAS 102817-87-8
| CAS No. | 102817-87-8 |
| Molecular Formula | C9H9ClN2OS |
| Molecular Weight | 228.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide (CAS 102817-87-8) is a high-purity analytical reference standard with the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol.
Structurally, 3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide (C9H9ClN2OS) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 228.70 g/mol, it falls into the medium-molecular-weight range. 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.
As a certified reference material (CRM), 3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide 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 | C9H9ClN2OS |
| Molecular Weight | 228.70 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 7-(Chloromethyl)-2,3-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one (CAS 100003-82-5)
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- 2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CAS 124476-88-6)
- N-(4-bromo-3-methylphenyl)-2-(4-(4-nitrophenyl)piperazin-1-yl)acetamide (CAS 882080-37-7)
- 3-Nitro-2-(phenylsulfanyl)benzoic acid (CAS 13421-12-0)
- tert-Butyl (1-(4-amino-1-methyl-1H-pyrazol-5-yl)azepan-3-yl)carbamate (CAS 1363405-91-7)
- Nigerose (CAS 497-48-3)
- Methyl5-methoxy-1h-pyrrolo[2,3-c]pyridine-3-carboxylate (CAS 2118403-09-9)
- 3-(Piperidin-1-ylmethyl)-1,4-thiazepane (CAS 1350989-08-0)
- 3-{5h,6h,7h,8h-imidazo[1,5-a]pyridin-3-yl}aniline (CAS 1049130-67-7)
- 1633-43-8 2-ethoxy-5-amino pyridine 3-amino-4-ethoxypyridine 4-Ethoxypyridin-3-amine 4-ethoxy-3-aminopyridine 4-ethoxy-3-pyridinamine 6-ethoxy-pyridin-3-ylamine (CAS 1633-43-8)
- n-((1-Ethylpyrrolidin-2-yl)methyl)cyclohexanamine (CAS 1021079-83-3)
- Semaglutide Impurity 189 (CAS CATO-C4X-2226189)
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