(2H3)methanesulfinyl(2H3)methane

• ChemBase ID: 106231
• Molecular Formular: C2H6OS
• Molecular Mass: 78.13344
• Monoisotopic Mass: 78.01393581
• SMILES: S(=O)(C)C
• Canonical SMILES: CS(=O)C
• InChI: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
• InChIKey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methanesulfinyl(^2H₃)methane; (^2H₃)methanesulfinyl(^2H₃)methane
• IUPAC Systematic name: (^2H₃)Methanesulfinyl(^2H₃)methane
• IUPAC Traditional name: deuterated dmso
• Synonyms: Methyl sulfoxide-d6; Dimethyl sulfoxide-d; Deuterated dimethyl sulfoxide; Deuterated DMSO; DMSO-d6; (Methyl sulfoxide)-d6; Hexadeuterodimethyl sulfoxide; Dimethyl sulfoxide-d6; DIMETHYL SULFOXIDE [D6, 99.9%]; DIMETHYL SULFOXIDE-D6; 二甲基亚砜-d6; 氘代二甲亚砜; 二甲亚砜-d6

Database IDs

• CAS Number: 2206-27-1
• EC Number: 218-617-0
• MDL Number: MFCD00002090
• Beilstein Number: 1237248
• PubChem SID: 24857840; 24880584; 24849174; 24880726; 24874254; 24866190; 24866188; 24850540; 24880509; 24878858; 24854199; 24874246; 24871596; 24882096; 24858692; 24851193; 24849647; 24866518; 24866187; 162087204; 24868790; 24867389; 24854200; 24867320; 24867659; 24866189; 24878927; 24868143; 24866545
• PubChem CID: 75151
• Chemspider ID: 67699
• Wikipedia Title: Deuterated_DMSO

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4078656
• LogD (pH = 7.4): -1.4078656
• Log P: -1.4078656
• Molar Refractivity: 20.7254 cm^3
• Polarizability: 8.039938 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Minimum isotopic purity 99.96%
• Apperance: Liquid; Liquid, in prescored ampoules, 0.75ml/ampoule
• Melting Point: 20°C
• Boiling Point: 189 °C(lit.); 190°C
• Flash Point: 188.6 °F; 87 °C; 88°C(190°F)
• Auto Ignition Point: 573 °F
• Density: 1.18; 1.190 g/mL at 25 °C(lit.)
• Refractive Index: 1.4760; n20/D 1.476(lit.)
• Vapor Pressure: 0.42 mmHg ( 20 °C)
• Mass Shift: M+6

Safety Information

• Storage Warning: Hygroscopic
• RTECS: PV6210000
• German water hazard class: 2; 3
• TSCA Listed: 否
• Explode Limits: 42 %
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 99.9%; 99.96%
• Grade: anhydrous
• Isotopic Purity: 99.5 atom % D; 99.9 atom % D; 99.96 atom % D
• Packaging: pk of 10 × 0.25 mL; pk of 10 × 0.5 mL; pk of 10 × 0.6 mL; pk of 10 × 0.75 mL; pk of 10 × 1 mL; pk of 5 × 0.5 mL
• Impurities: <50 ppm water
• Contains: 0.03 % (v/v) TMS; 0.1 % (v/v) TMS; 1 % (v/v) TMS
• Linear Formula: (CD3)2SO

DETAILS

MP Biomedicals - 02510723

CD₃ SOCD₃
Contains +1% TMS
Purity: 99.9% D atom
d= 1.19 gm/ml

MP Biomedicals - 02510823

CD₃SODC₃
Purity: 99.96% D atom
d-1.19 gm/ml

MP Biomedicals - 02510722

CD₃ SOCD₃
Purity: 99.9% D atom
d= 1.19 gm/ml

Sigma Aldrich - 570672

Packaging
50 g in glass bottle

Sigma Aldrich - 296147

Packaging
10 g in ampule
10×0.5, 10×0.6, 10×0.75, 10×1 mL in ampule
25, 50 g in glass bottle

Sigma Aldrich - 437697

Packaging
10 g in ampule
50 g in glass bottle

Sigma Aldrich - 716731

Packaging
10×0.75 mL in ampule

Sigma Aldrich - 417920

Packaging
25 mL in glass bottle

Sigma Aldrich - 417912

Packaging
10 g in ampule
50 g in glass bottle

Sigma Aldrich - 423653

Packaging
1 pkg in ampule
10×0.75 mL in ampule

Sigma Aldrich - 424005

Packaging
1 pkg in ampule

Sigma Aldrich - 156914

Packaging
1, 5 g in ampule
10×0.5, 10×0.75, 10×1 mL in ampule
25 g in glass bottle

Sigma Aldrich - 547239

Packaging
10×0.5 mL in ampule
10, 50 mL in serum bottle

Sigma Aldrich - 444766

Packaging
1 pkg in ampule

Sigma Aldrich - 479071

Packaging
25 mL in glass bottle
5 mL in ampule

Sigma Aldrich - 308838

Packaging
1 pkg in ampule

Sigma Aldrich - 185965

Packaging
10 g in ampule
25, 50 g in glass bottle

Sigma Aldrich - 236934

Packaging
1 pkg in ampule

Sigma Aldrich - 522120

Packaging
10, 100 g in glass bottle

Sigma Aldrich - 151874

Packaging
1 kg in glass bottle
10×0.6, 10×0.75, 10×1 mL in ampule
600 g in glass bottle
10 g in glass bottle
10 g in serum bottle
100 g in Sure/Seal™
25, 50 g in glass bottle
5, 10 g in ampule
50 g in serum bottle

Sigma Aldrich - 453323

Packaging
1 pkg in ampule

Sigma Aldrich - 612324

Application
These solvents have an HOD peak which is less than 1% of the HOH peak to minimize potential exchange with an analyte. "Special HOH" also meet our standard water specifications for NMR solvents.
Packaging
10, 25, 50 g in glass bottle

Sigma Aldrich - 522058

Packaging
1 pkg in ampule

Sigma Aldrich - 569585

Packaging
10×1 mL in ampule

Sigma Aldrich - 175943

Packaging
10 g in ampule
50, 100, 250 g in glass bottle

Sigma Aldrich - 236926

Packaging
1 pkg in ampule

Sigma Aldrich - 441392

Packaging
1 pkg in ampule

Sigma Aldrich - 417904

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 417939

Packaging
10×0.75, 5 mL in ampule
25 mL in glass bottle

Sigma Aldrich - 574341

Packaging
10×0.5, 0×0.6 mL in ampule
10, 50 mL in serum bottle

Sigma Aldrich - 439037

Packaging
10 g in ampule
25, 50 g in glass bottle

Sigma Aldrich - 545880

Packaging
1 pkg in ampule