Dimethyl sulfone

Details

• Internal ID: 632e3ff1-75d4-419d-8c43-0f029414bbf8
• Taxonomy: Organosulfur compounds > Sulfonyls > Sulfones
• IUPAC Name: methylsulfonylmethane
• SMILES (Canonical): CS(=O)(=O)C
• SMILES (Isomeric): CS(=O)(=O)C
• InChI: InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
• InChI Key: HHVIBTZHLRERCL-UHFFFAOYSA-N
• Popularity: 1,328 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂H₆O₂S
• Molecular Weight: 94.14 g/mol
• Exact Mass: 94.00885060 g/mol
• Topological Polar Surface Area (TPSA): 42.50 Ų
• XlogP: -0.40

Synonyms

• Methyl sulfone
• 67-71-0
• Methylsulfonylmethane
• DIMETHYLSULFONE
• Dimethyl sulphone
• Sulfonylbismethane
• Methane, sulfonylbis-
• sulfonyldimethane
• Sulphonylbismethane
• Methylsulfonyl methane
• METHANESULFONYLMETHANE
• (methylsulfonyl)methane
• METHYL SULFONYL METHANE
• DMSO2
• MSM
• NSC 63345
• C2H6O2S
• CCRIS 2938
• EINECS 200-665-9
• UNII-9H4PO4Z4FT
• 9H4PO4Z4FT
• CHEMBL25028
• Methane, 1,1'-sulfonylbis-
• AI3-25306
• CHEBI:9349
• DTXSID4043937
• NSC-63345
• methylsulfone
• methyl sulfonmethane
• dimethylsulfon
• dimethylsulphone
• methy sulfone
• methyl sulphone
• Lignisul MSM
• Sulfonylbis-methane
• Opti MSM
• Sulfone, dimethyl-
• MFCD00007566
• (methylsulphonyl)methane
• Dimethyl sulfone, 98%
• METHOSULFONYLMETHANE
• 2-Thiapropane2,2-dioxide
• MolMap_000019
• Metano, 1,1'-sulfonilbis-
• DIMETHYL SULFONE [MI]
• SPECTRUM1505358
• DIMETHYL SULFONE [INCI]
• DTXCID2023937
• DIMETHYL SULFONE [MART.]
• C2-H6-O2-S
• AMY25756
• HY-Y1314
• NSC63345
• METHYLSULFONYLMETHANE [VANDF]
• Tox21_303712
• BDBM50026473
• METHYLSULFONYLMETHANE [USP-RS]
• METHYLSULFONYLMETHANE [WHO-DD]
• AKOS015897615
• CCG-214558
• DB14090
• CAS-67-71-0
• NCGC00095990-01
• NCGC00357027-01
• LS-90358
• MYTHYLSULFONYLMETHANE (MSM) [VANDF]
• CS-0017786
• FT-0625160
• M0509
• M1239
• EN300-79559
• D70240
• InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H
• A835859
• Q423842
• DIMETHYL SULFOXIDE IMPURITY A [EP IMPURITY]
• F0001-1776
• Z417007936
• Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R)
• Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard
• Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL340	P08684	Cytochrome P450 3A4	19952.6 nM; 19952.6 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL1293226	B2RXH2	Lysine-specific demethylase 4D-like	39810.7 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.72%	95.56%

Plants that contains it

• Aloe africana
• Aloe ferox
• Aloe spicata
• Aloe vera
• Angelica sinensis
• Equisetum hyemale
• Euonymus alatus
• Laurus nobilis
• Meconopsis punicea
• Oroxylum indicum
• Papaver bracteatum

Cross-Links

• PubChem: 6213
• NPASS: NPC256853
• ChEMBL: CHEMBL25028