5147-80-8 InChI=1/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H [bis(methylthio)methylene]malononitrile propanedinitrile, [bis(methylthio)methylene]- CAS 5147-80-8
| CAS No. | 5147-80-8 |
| Molecular Formula | C6H6N2S2 |
| Molecular Weight | 170.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5147-80-8 InChI=1/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H [bis(methylthio)methylene]malononitrile propanedinitrile, [bis(methylthio)methylene]- is closely related to a nitrile group, sulfur-containing functionality, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5147-80-8 InChI=1/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H [bis(methylthio)methylene]malononitrile propanedinitrile, [bis(methylthio)methylene]- (CAS 5147-80-8) is a high-purity analytical reference standard with the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol.
5147-80-8 InChI=1/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H [bis(methylthio)methylene]malononitrile propanedinitrile, [bis(methylthio)methylene]- (C6H6N2S2) contains a nitrile group, sulfur-containing functionality, an aromatic ring system. Its physicochemical properties are representative of its class; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 5147-80-8 InChI=1/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H [bis(methylthio)methylene]malononitrile propanedinitrile, [bis(methylthio)methylene]- 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 | C6H6N2S2 |
| Molecular Weight | 170.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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