DMSO-d6 - ≥99.9 atom% D, contains 0.05 % (v/v) TMS , CAS No.2206-27-1

CAS: 2206-27-1 Cat. No.: D106265 Formula: C₂D₆SO Molecular Weight: 84.17 Beilstein Registry Number: 1237248 EC Number: 218-617-0

GRADE & PURITY ≥99.9 atom% D, contains 0.05 % (v/v) TMS

Synonyms

Dimethyl sulfoxide-d6 | Dimethylsulfoxide-D6 | DMSO-d6

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Dimethyl sulfoxide-d6 | Dimethylsulfoxide-D6 | DMSO-d6

Specifications & Purity

≥99.9 atom% D, contains 0.05 % (v/v) TMS

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥99.9 atom% D

Names and Identifiers

Pubchem Sid

508812219

Canonical Smiles

[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

IUPAC Name

trideuterio(trideuteriomethylsulfinyl)methane

InChIKey

IAZDPXIOMUYVGZ-WFGJKAKNSA-N

INCHI

1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3

Isomeric SMILES

[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

WGK Germany

2

Alternate CAS

67-68-5（Unlabeled）

Molecular Weight

84.17

Beilstein

1237248

Reaxy-Rn

1237248

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfoxides
• Alternative Parents: Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Freezing Point(°C): 20 °C
• Refractive Index: 1.48
• Flash Point(°F): 190.4 °F
• Flash Point(°C): 88℃
• Boil Point(°C): 190°C
• Melt Point(°C): 20°C
• Molecular Weight: 84.170 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 84.0516 Da
• Monoisotopic Mass: 84.0516 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 29.000
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1