(methylsulfanyl)ethane

• ChemBase ID: 112053
• Molecular Formular: C3H8S
• Molecular Mass: 76.16062
• Monoisotopic Mass: 76.03467126
• SMILES: CCSC
• Canonical SMILES: CSCC
• InChI: InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3
• InChIKey: WXEHBUMAEPOYKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylsulfanyl)ethane
• IUPAC Traditional name: ethyl methyl sulfide
• Synonyms: METHYL ETHYL SULFIDE; Ethyl methyl sulfide; Methyl ethyl sulfide; 甲基乙基硫醚

Database IDs

• CAS Number: 624-89-5
• EC Number: 210-868-4
• MDL Number: MFCD00009268
• Beilstein Number: 1696871
• PubChem SID: 24854294; 24845742; 24901908; 162097332
• PubChem CID: 12230
• FEMA ID: 3860
• Flavis Number: 12.154

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4766095
• LogD (pH = 7.4): 1.4766095
• Log P: 1.4766095
• Molar Refractivity: 23.6895 cm^3
• Polarizability: 9.325723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -106 °C(lit.); -106°C; -106°C
• Boiling Point: 66°C; 66-67 °C(lit.); 66-67°C
• Flash Point: -15 °C; -15°C(5°F); 5 °F
• Density: 0.841; 0.842 g/ml; 0.842 g/mL at 25 °C(lit.)
• Refractive Index: 1.4392; n20/D 1.440; n20/D 1.440(lit.)
• Vapor Pressure: 272 mmHg ( 37.7 °C)
• Organoleptic: sulfurous; vegetable; coffee; meaty; fishy

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11; R:10
• Safety Statements: 16-23-24/25; 9-16-23-33; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P261-P243-P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: ≥95.0% (GC); ≥99%; 96%; 97%
• Grade: NI; purum
• Linear Formula: CH3CH2SCH3

DETAILS

MP Biomedicals - 05222350

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W386006

Biochem/physiol Actions
Odor at 0.1%
Taste at 0.25-2 ppm

Sigma Aldrich - 238317

Packaging
25, 100 g in glass bottle