1-Isothiocyanato-6-(methylthio)-hexane CAS 4430-39-1
| CAS No. | 4430-39-1 |
| Molecular Formula | C8H15NS2 |
| Molecular Weight | 189.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Isothiocyanato-6-(methylthio)-hexane is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Isothiocyanato-6-(methylthio)-hexane (CAS 4430-39-1), molecular formula C8H15NS2 and molecular weight 189.34 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H15NS2, 1-Isothiocyanato-6-(methylthio)-hexane contains a nitrile group, sulfur-containing functionality; these features give the compound characteristic molecular-ion distribution patterns in mass spectrometry. The molecular weight of 189.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 1-Isothiocyanato-6-(methylthio)-hexane 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 | C8H15NS2 |
| Molecular Weight | 189.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Isothiocyanato Standards
- 2-isothiocyanato-1,2,3,4-tetrahydronaphthalene (CAS 173996-69-5)
- 6-Isothiocyanato-2,4-dimethylnicotinonitrile (CAS 285124-09-6)
- 4-isothiocyanato-3,4-dihydro-2H-1-benzopyran (CAS 1249761-99-6)
- 3-Isothiocyanato-3-methyltetrahydrothiophene 1,1-dioxide (CAS 507455-93-8)
- (S)-1-Isothiocyanato-5-(methylsulfinyl)pentane (CAS 167963-04-4)
- (R)-1-Isothiocyanato-5-(methylsulfinyl)pentane (CAS 167963-06-6)
- (2S)-2-Isothiocyanato-4-methyl-pentanoic Acid Methyl Ester (CAS 206761-74-2)
- Ethyl 2-isothiocyanato-3-methylbutanoate (CAS 26349-76-8)
Recommended Standards
- 3-(3-pyridyl)thietane-3-thiol (CAS 1903712-27-5)
- 4-Hydroxy-2,2,6,6-tetramethylpiperidine-d17-1-oxyl (CAS 100326-46-3)
- N-((1-(methylthio)cyclopropyl)methyl)thietan-3-amine (CAS 1881374-18-0)
- 4-Amino-2,2,6,6-tetramethylpiperidine-d17;1-15N-1-oxyl (CAS 97461-87-5)
- 4-(4-Chlorophenyl)pyridin-2-amine (CAS 907945-72-6)
- 1-(9-Propyl-9H-fluoren-2-yl)ethanone (CAS 15263-35-1)
- 2-Bromo-N-(5-methylpyridin-2-yl)acetamide (CAS 349124-62-5)
- 3-(2,3-Dihydro-1h-inden-5-yl)-1,1,1-trifluoropropan-2-ol (CAS 1339573-12-4)
- (R)-2-(3-Iodophenyl)pyrrolidine (CAS 1228557-18-3)
- Ramosetron-d3 HCl (CAS 1330266-04-0)
- 3-(1-Aminoethyl)-2-(trifluoromethyl)benzonitrile (CAS 1391097-27-0)
- 1,8-Naphthyridine-2-carboxylic acid hydrate (CAS 1189993-99-4)
- amino[(4-fluorobenzyl)sulfanyl]methaniminium chloride (CAS 122305-64-0)
- Des-Ile27-Tirzepatide (CAS CATO-CPTD788946)
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