ethanethiol

• ChemBase ID: 88594
• Molecular Formular: C2H6S
• Molecular Mass: 62.13404
• Monoisotopic Mass: 62.01902119
• SMILES: SCC
• Canonical SMILES: CCS
• InChI: InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
• InChIKey: DNJIEGIFACGWOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanethiol
• IUPAC Traditional name: ethanethiol
• Synonyms: Mercaptoethane; Ethyl mercaptan; Ethanethiol; Ethanethiol solution; Ethanethiol; Ethanethiol (ethyl mercaptan); EM RT; Mercaptan C2; Ethanethiol; 乙硫醇 溶液; 乙硫醇; 乙硫醇（硫代乙醇）; C2 硫醇; 硫代乙醇; 乙硫醇

Database IDs

• CAS Number: 75-08-1
• EC Number: 200-837-3
• MDL Number: MFCD00004887
• Beilstein Number: 773638
• Merck Index: 143726
• PubChem SID: 24902115; 162075517; 24894342; 24873392
• PubChem CID: 6343
• Chemspider ID: 6103
• FEMA ID: 4258
• Unique Ingredient Identifier: M439R54A1D
• Wikipedia Title: Ethanethiol
• Flavis Number: 12.017

CALCULATED PROPERTIES

• Acid pKa: 10.2290325
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 1.0895928
• LogD (pH = 7.4): 1.0890033
• Log P: 1.0896003
• Molar Refractivity: 19.0385 cm^3
• Polarizability: 7.4749584 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in alcohol, ether, water
• Apperance: Liquid
• Melting Point: -148°C; -148°C
• Boiling Point: 187.7 °C; 35 °C(lit.); 35°C; 35°C
• Flash Point: <-20 °C; <-4 °F; -45 °C; -45°C; -48°C(-55°F); -49 °F
• Auto Ignition Point: 570 °F
• Density: 0.839; 0.839 g/mL at 25 °C(lit.); 0.84; 0.8617 g·cm^−3
• Refractive Index: 1.4310; n20/D 1.43; n20/D 1.4306(lit.); n20/D 1.434
• Vapor Pressure: 8.51 psi ( 20 °C)
• Vapor Density: 2.1 (vs air)
• pKa: 10.6

Safety Information

• Storage Warning: Extremely Flammable/Harmful/Stench
• RTECS: KI9625000
• European Hazard Symbols: Flammable (F); Nature polluting (N); X; Harmful (Xn)
• UN Number: 1993; 2363; UN2363
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; 2; I
• Risk Statements: 11-20-50/53; 11-50/53
• Safety Statements: 16-25-60-61; 16-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Danger
• Main Hazard: Nauseating
• Explode Limits: 18.2 %
• GHS Hazard statements: H225-H332-H410; H225-H400-H410-H332; H225-H410
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P403+P235-P501A; P210-P273-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); 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; UN 2363 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97%; ≥97.0% (GC); 97%
• Concentration: 10 wt. % in propylene glycol
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: C2H5SH
• Empirical Formula (Hill Notation): C2H6S

DETAILS

Sigma Aldrich - 525804

Legal Information
Product of Arkema

Sigma Aldrich - W425800

Packaging
1 kg in glass bottle
1 sample in glass bottle
9 kg in steel drum

Sigma Aldrich - E3708

Packaging
100, 500 mL in glass bottle

Sigma Aldrich - W527505

Packaging
10 kg in steel drum
25 kg in comp drum