(ethylsulfanyl)ethane

• ChemBase ID: 127006
• Molecular Formular: C4H10S
• Molecular Mass: 90.1872
• Monoisotopic Mass: 90.05032132
• SMILES: S(CC)CC
• Canonical SMILES: CCSCC
• InChI: InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
• InChIKey: LJSQFQKUNVCTIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylsulfanyl)ethane
• IUPAC Traditional name: ethyl sulfide
• Synonyms: Ethyl sulfide; Diethyl sulfide; diethyl thioether; ethyl sulfidr; thioethyl ether; Diethyl sulfide; 乙硫醚; 二乙基硫醚

Database IDs

• CAS Number: 352-93-2
• EC Number: 206-526-9
• MDL Number: MFCD00009270
• Beilstein Number: 1696909
• Merck Index: 143854
• PubChem SID: 24859500; 24901897; 24846758; 162221329
• PubChem CID: 6163; 9609
• CHEBI ID: 27710
• CHEMBL: 117181
• Chemspider ID: 9233
• FEMA ID: 3869
• KEGG ID: C14706
• Wikipedia Title: Diethyl_sulfide
• Flavis Number: 12.113

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7296395
• LogD (pH = 7.4): 1.7296395
• Log P: 1.7296395
• Molar Refractivity: 28.4873 cm^3
• Polarizability: 11.173222 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: fully miscible in diethyl ether; fully miscible in ethanol; insoluble in water
• Apperance: Clear liquid
• Melting Point: -100 °C(lit.); -103.8°C; -104°C
• Boiling Point: 90-92 °C(lit.); 90-92°C; 92°C
• Flash Point: -10 °C; -10°C(14°F); 14 °F
• Density: 0.835; 0.837 g/cm^3; 0.837 g/mL at 25 °C(lit.)
• Refractive Index: 1.4420; 1.44233; n20/D 1.442; n20/D 1.442(lit.)
• Vapor Pressure: 105 mmHg ( 37.7 °C)

Safety Information

• RTECS: LC7200000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2375; UN2375
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38; 11-36/38; R11 R65
• Safety Statements: 9-16-23-26-33-37; 9-16-26-33-36; S2 S9 S16 S51 S62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Main Hazard: Skin and eye irritant. Highly flammable liquid and vapor
• NFPA704:
  

  3

  2

  1
• GHS Hazard statements: H225-H315-H319; H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2375 3/PG 2

Product Information

• Purity: ≥99.0% (GC); 96%; 98%
• Grade: puriss.
• Linear Formula: (C2H5)2S

DETAILS

Sigma Aldrich - 107247

Packaging
5, 100 mL in glass bottle

Sigma Aldrich - W382501

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in steel drum