Benzenecarbothioic acid, S-(3-chloro-3-oxopropyl) ester CAS 67714-30-1
| CAS No. | 67714-30-1 |
| Molecular Formula | C10H9ClO2S |
| Molecular Weight | 228.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Benzenecarbothioic acid, S-(3-chloro-3-oxopropyl) ester.
Benzenecarbothioic acid, S-(3-chloro-3-oxopropyl) ester (CAS 67714-30-1), molecular formula C10H9ClO2S and molecular weight 228.70 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H9ClO2S, Benzenecarbothioic acid, S-(3-chloro-3-oxopropyl) ester contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 228.70 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C10H9ClO2S |
| 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Benzenecarbothioic Standards
- 24524-95-6 Benzenecarbothioic acid, 4-nitro-, S-ethyl ester DTXSID00407510 (CAS 24524-95-6)
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Recommended Standards
- 9-(2-Chloroethyl)-6-(methylthio)-9H-purine (CAS 2846-81-3)
- N-(Aminoiminomethyl)-N'-(4-chlorophenyl)-thiourea (CAS 7464-17-7)
- 7-chloro-N-isopropylthiazolo[5,4-d]pyrimidin-2-amine (CAS 871266-86-3)
- (1-fluorocycloheptyl)methanesulfonyl chloride (CAS 1803565-69-6)
- 3,7-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS 2304634-53-3)
- 2-(3-(2-Hydroxyethyl)-2,3-dihydrobenzofuran-3-yl)-4-methylbenzenesulfonate (CAS 188610-67-5)
- Deoxyshikonin (CAS 43043-74-9)
- 2,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole dihydrobromide (CAS 2227206-29-1)
- 5-(Dimethylamino)-3-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione (CAS 53727-38-1)
- Octahydrocyclopenta[b]morpholine hydrochloride (CAS 1197767-62-6)
- Trimethoxy(3-methoxypropyl)silane (CAS 33580-59-5)
- 2-(4-Methoxybenzyl)-3-(p-tolyl)-2H-indazole (CAS 872682-09-2)
- 2-(Ethyl(2-fluorobenzyl)amino)acetic acid (CAS 1181635-70-0)
- Semaglutide Impurity 115 (CAS CATO-C4X-2226115)
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