(ethylsulfanyl)sodium

• ChemBase ID: 150305
• Molecular Formular: C2H5NaS
• Molecular Mass: 84.11587
• Monoisotopic Mass: 84.00096544
• SMILES: CCS[Na]
• Canonical SMILES: CCS[Na]
• InChI: InChI=1S/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
• InChIKey: QJDUDPQVDAASMV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylsulfanyl)sodium
• IUPAC Traditional name: (ethylsulfanyl)sodium
• Synonyms: Ethanethiol sodium salt; Ethyl mercaptan sodium salt; Sodium ethanethiolate; 乙基硫醇 钠盐; 乙硫醇 钠盐; 乙硫醇钠

Database IDs

• CAS Number: 811-51-8
• MDL Number: MFCD00066318
• Beilstein Number: 3593647
• PubChem SID: 162244466; 24862065; 24886020
• PubChem CID: 4459711

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.5521
• LogD (pH = 7.4): -0.5521
• Log P: -0.5521
• Molar Refractivity: 18.2944 cm^3
• Polarizability: 9.1074915 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 29-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2
• Supplemental Hazard Statements: Contact with water liberates toxic gas.

Product Information

• Purity: ~90% (RT); 80%
• Grade: technical; technical grade
• Linear Formula: CH3CH2SNa

DETAILS

Sigma Aldrich - 359297

Packaging
10 g in glass bottle

Sigma Aldrich - 71208

Other Notes
Alkanethiolates are efficient reagents for SN2 dealkylation of esters and aryl ethers1,2,3,4,5
Packaging
10, 50 g in glass bottle