416452
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:
Molecular Weight:
68.17
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
213-133-6
Beilstein/REAXYS Number:
2036892
MDL number:
Isotopic purity:
99 atom % D
Assay:
99% (CP)
Mass shift:
M+6
Form:
liquid
InChI key
QMMFVYPAHWMCMS-WFGJKAKNSA-N
InChI
1S/C2H6S/c1-3-2/h1-2H3/i1D3,2D3
SMILES string
[2H]C([2H])([2H])SC([2H])([2H])[2H]
isotopic purity
99 atom % D
assay
99% (CP)
form
liquid
Quality Level
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
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.
Other Notes
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signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
-34.6 °F - closed cup
flash_point_c
-37 °C - closed cup
Regulatory Information
危险化学品
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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)
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)
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)
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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