(ethylsulfanyl)lithium

• ChemBase ID: 143441
• Molecular Formular: C2H5LiS
• Molecular Mass: 68.0671
• Monoisotopic Mass: 68.02720071
• SMILES: [Li]SCC
• Canonical SMILES: [Li]SCC
• InChI: InChI=1S/C2H6S.Li/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
• InChIKey: JPSNJFMTQIIVFG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylsulfanyl)lithium
• IUPAC Traditional name: (ethylsulfanyl)lithium
• Synonyms: Lithium ethanethiolate; Lithium ethyl sulfide; Lithium ethyl thiolate; Lithium ethylmercaptide; Lithium thioethoxide; 硫代乙氧基锂

Database IDs

• CAS Number: 30383-01-8
• MDL Number: MFCD16621449
• PubChem SID: 162237660
• PubChem CID: 10866251

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0925
• LogD (pH = 7.4): 1.0925
• Log P: 1.0925
• Molar Refractivity: 18.1404 cm^3
• Polarizability: 8.633246 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 316-333 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3206
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 2
• Risk Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3206 4.2/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 80%
• Empirical Formula (Hill Notation): C2H5LiS

DETAILS

Sigma Aldrich - 717991

Packaging
5 g in glass bottle
Application
Reactant for preparation of:
• Microwave-assisted cleavage of aryl methyl ethers1
• Triply thiolate-bridged diiron complexes2
• (+)-batzelladine A and (-)-batzelladine D3