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Sigma-Aldrich

Dimethyl sulfide-d6

99 atom % D

Synonym(s):

(Methyl sulfide)-d6, Hexadeuterodimethyl sulfide

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About This Item

Linear Formula:
CD3SCD3
CAS Number:
926-09-0
Molecular Weight:
68.17
Beilstein:
2036892
EC Number:
213-133-6
MDL number:
MFCD00044687
UNSPSC Code:
12142201
PubChem Substance ID:
24865904
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

200

Assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.431 (lit.)

bp

36.5 °C (lit.)

density

0.928 g/mL at 25 °C (lit.)

mass shift

M+6

SMILES string

[2H]C([2H])([2H])SC([2H])([2H])[2H]

InChI

1S/C2H6S/c1-3-2/h1-2H3/i1D3,2D3

InChI key

QMMFVYPAHWMCMS-WFGJKAKNSA-N

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General description

Dimethyl sulfide-d6 [(CD3)2S] is a deuterated NMR solvent useful in NMR-based research and analyses. It can form 1:1 complex with halothane by the formation of C–H…S hydrogen bonds. During the reaction of (CD3)2S with singlet oxygen in aprotic solvents, the H-D exchange in the methyl group was observed. The electronic spectra of (CD3)2S has been measured between 1250 and 2500Å.

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Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

-34.6 °F - closed cup

Flash Point(C)

-37 °C - closed cup

Certificates of Analysis (COA)

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Vibrational spectra of (CH3)2S, CH3SCD3, and (CD3)2S.
Ypenburg JW and Gerding H.
Rec. Trav. Chim., 90(8), 885-895 (1971)
Intramolecular potential function and methyl-methyl coupling of crystalline dimethyl sulfide.
Levin IW, et al.
Spectrochimica Acta Part A: Molecular Spectroscopy, 31(1), 41-55 (1975)
Assignments of Rydberg and valence transitions in the electronic absorption spectrum of dimethyl sulfide.
McDiarmid R.
J. Chem. Phys. , 61(1), 274-281 (1974)
C-H?X (X= S, P) hydrogen bonding: The complexes of halothane with dimethyl sulfide and trimethylphosphine.
Michielsen B, et al.
Journal of Molecular Structure, 1023, 90-95 (2012)
Mechanism of sulfone formation in the reaction of sulfides and singlet oxygen: intermediacy of S-hydroperoxysulfonium ylide.
Ishiguro K, et al.
Journal of the American Chemical Society, 118(31), 7265-7271 (1996)

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