(methyldisulfanyl)methane

• ChemBase ID: 109983
• Molecular Formular: C2H6S2
• Molecular Mass: 94.19904
• Monoisotopic Mass: 93.99109219
• SMILES: CSSC
• Canonical SMILES: CSSC
• InChI: InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
• InChIKey: WQOXQRCZOLPYPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methyldisulfanyl)methane
• IUPAC Traditional name: dimethyl disulfide
• Synonyms: Dimethyl disulphide; Methyl disulfide; Methyldisulfide; Dimethyldisulfide; Methyldithiomethane; 2,3-Dithiabutane; DIMETHYL DISULFIDE; DMDS; Dimethyl disulfide; 二甲基二硫醚; 甲基二硫醚; 二甲基二硫

Database IDs

• CAS Number: 624-92-0
• EC Number: 210-871-0
• MDL Number: MFCD00008561
• Beilstein Number: 1730824
• PubChem SID: 24901768; 24870743; 162095538; 24874662; 24859262
• PubChem CID: 12232
• CHEBI ID: 4608
• Chemspider ID: 11731
• FEMA ID: 3536
• Wikipedia Title: Dimethyl_disulfide
• Council of Europe Number: 2175
• Flavis Number: 12.026

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3502556
• LogD (pH = 7.4): 1.3502556
• Log P: 1.3502556
• Molar Refractivity: 27.1472 cm^3
• Polarizability: 10.577469 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.5 g/L (20 °C) in water
• Apperance: Colorless to yellowish liquid
• Melting Point: -84.7°C; -85 °C(lit.); -85°C; -85°C
• Boiling Point: 108-109°C; 109 °C(lit.); 109.6°C; 110°C
• Flash Point: 10°C(50°F); 15 °C; 15°C (59°F); 59 °F
• Auto Ignition Point: >572 °F; 370°C (698°F)
• Density: 1.046; 1.046 g/mL at 25 °C(lit.); 1.06 g/cm^3; 1.063 g/ml
• Refractive Index: 1.5253; n20/D 1.525(lit.); n20/D 1.527
• Vapor Pressure: 22 mmHg ( 20 °C)
• Vapor Density: 3.24 (vs air)
• Organoleptic: vegetable

Safety Information

• RTECS: JO1927500
• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+); Irritant (Xi); Harmful (Xn)
• UN Number: 2381; UN2381
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/22-36/37-51/53; 11-22-26-36-51/53; R:11-36/37
• Safety Statements: 26-61; 4-9-16-20-23-26-28a-33-36/37/39-45-57; S:9-16-26-29
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS09
• GHS Signal Word: Danger
• LD50: 190 mg/kg (oral, rat)
• Explode Limits: 16 %
• GHS Hazard statements: H225-H301-H330-H319-H411-H401; H225-H302-H319-H331-H335-H411
• GHS Precautionary statements: P210-P261-P273-P305 + P351 + P338-P311; P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2381 3/PG 2

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; ≥98.0% (GC); ≥99%; ≥99.0%; 98%; 99%
• Grade: Kosher; purum
• Linear Formula: CH3SSCH3

DETAILS

MP Biomedicals - 05213280

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 320412

Packaging
1 L in Sure/Seal™

Sigma Aldrich - 471569

Packaging
1 L in Sure/Seal™
25, 250 mL in Sure/Seal™
Legal Information
Product of Arkema Inc.

Sigma Aldrich - 528013

Legal Information
Product of Arkema

Sigma Aldrich - 40221

Other Notes
Reagent for the α-methylsulfenylation of carbonyl compounds1

Sigma Aldrich - W353604

Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10 kg in comp drum

REFERENCES

• Non-aqueous diazotization of arylamines with isoamyl nitrite in the presence of Me₂S₂ provides a convenient route to aryl methyl sulfides: Synth. Commun., 31, 1857 (2001). Alkyl methyl sulfides have been prepared by disproportionation of symmetrical disulfides with Me₂S₂ in the presence of NaOH: Chem. Lett., 755 (1999).