Methyl 4-cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoate CAS 870532-87-9
| CAS No. | 870532-87-9 |
| Molecular Formula | C20H35NO2S3 |
| Molecular Weight | 417.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 4-cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoate (CAS 870532-87-9), molecular formula C20H35NO2S3 and molecular weight 417.69 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 4-cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoate (C20H35NO2S3) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 417.69 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H35NO2S3 |
| Molecular Weight | 417.69 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |
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