triethylsulfanium iodide

• ChemBase ID: 301867
• Molecular Formular: C6H15IS
• Molecular Mass: 246.15277
• Monoisotopic Mass: 245.99391948
• SMILES: CC[S+](CC)CC.[I-]
• Canonical SMILES: CC[S+](CC)CC.[I-]
• InChI: InChI=1S/C6H15S.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1
• InChIKey: LKDQWVKWYGOVJW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triethylsulfanium iodide
• IUPAC Traditional name: triethylsulfanium iodide
• Synonyms: Triethylsulfonium iodide; 三乙基碘代硫翁

Database IDs

• CAS Number: 1829-92-1
• EC Number: 217-383-7
• MDL Number: MFCD00051867
• Beilstein Number: 3911790

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.68185925
• LogD (pH = 7.4): 0.68185925
• Log P: 0.68185925
• Molar Refractivity: 36.7965 cm^3
• Polarizability: 15.233951 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 148°C dec.

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

REFERENCES

• Ethylidene-transfer reagent, compare Trimethylsulfonium iodide, A12639.