Dimethyl Sulfone
PubChem CID: 6213
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| Compound Synonyms | Dimethyl sulfone, Methyl sulfone, 67-71-0, Methylsulfonylmethane, DIMETHYLSULFONE, Dimethyl sulphone, Sulfonylbismethane, Methane, sulfonylbis-, sulfonyldimethane, (methylsulfonyl)methane, Methylsulfonyl methane, METHANESULFONYLMETHANE, Sulphonylbismethane, DMSO2, METHYL SULFONYL METHANE, NSC 63345, CCRIS 2938, methyl sulphone, Lignisul MSM, UNII-9H4PO4Z4FT, EINECS 200-665-9, Sulfonylbis-methane, 9H4PO4Z4FT, Opti MSM, Sulfone, dimethyl-, Methane, 1,1'-sulfonylbis-, DTXSID4043937, AI3-25306, METHOSULFONYLMETHANE, NSC-63345, CHEMBL25028, DIMETHYL SULFONE [MI], CHEBI:9349, DTXCID2023937, DIMETHYL SULFONE [MART.], NSC63345, METHYLSULFONYLMETHANE [VANDF], METHYLSULFONYLMETHANE [USP-RS], METHYLSULFONYLMETHANE [WHO-DD], methylsulfone, MYTHYLSULFONYLMETHANE (MSM) [VANDF], perdeuterodimethyl sulfone, methyl sulfonmethane, DIMETHYL SULFOXIDE IMPURITY A [EP IMPURITY], DIMETHYL SULFONE (MART.), METHYLSULFONYLMETHANE (USP-RS), DIMETHYL SULFOXIDE IMPURITY A (EP IMPURITY), MFCD00007566, dimethylsulfon, dimethylsulphone, methy sulfone, Sulphonyldimethane, methane, sulfonylbis, methylsulphonylmethane, MSM2000 Premium, (methanesulfonyl)methane, (methylsulphonyl)methane, 1,1'Sulfonylbismethane, Dimethyl sulfone, 98%, Methane, 1,1'sulfonylbis, MolMap_000019, Dimethyl sulfone (Standard), DPHEAL SUL 16 HOT, SPECTRUM1505358, DIMETHYL SULFONE [INCI], HY-Y1314R, MYTHYLSULFONYLMETHANE (MSM), HY-Y1314, Tox21_303712, BDBM50026473, AKOS015897615, CCG-214558, DB14090, FM11048, CAS-67-71-0, NCGC00095990-01, NCGC00357027-01, DB-050533, CS-0017786, M0509, M1239, Methyl sulfonyl methane, MSM, Dimethyl sulfone, NS00006500, EN300-79559, D70240, A835859, Q423842, 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, XZ5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CS=O)=O)C |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Sulfonyls |
| Description | Methylsulfonylmethane (MSM) is an organosulfur compound with the formula (CH3)2SO2. It is also known by several other names including DMSO2, methyl sulfone, and dimethyl sulfone. This colorless solid features the sulfonyl functional group and is considered relatively inert chemically. It occurs naturally in some primitive plants and is present in small amounts in many foods and beverages and it is marketed as a dietary supplement. Dimethyl sulfone is found in guava. |
| Classyfire Subclass | Sulfones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P32738, n.a., B2RXH2, P08684, Q13951, Q9NPD5, Q9Y6L6, A4TVL0, Q96SW2 |
| Iupac Name | methylsulfonylmethane |
| Prediction Hob | 1.0 |
| Class | Sulfonyls |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Target Id | NPT48, NPT109, NPT2608 |
| Xlogp | -0.4 |
| Superclass | Organosulfur compounds |
| Subclass | Sulfones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C2H6O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | HHVIBTZHLRERCL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -0.602 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -0.953 |
| Synonyms | (Methylsulfonyl)methane, Dimethyl sulfone, Dimethyl sulphone, Dimethylsulfone, DMSO2, Lignisul msm, Methane, 1,1'-sulfonylbis-, Methane, sulfonylbis-, Methyl sulfone, Methylsulfonyl methane, Methylsulfonylmethane, Methylsulphonylmethane, MSM, Opti msm, Sulfone, dimethyl-, Sulfonylbis-methane, Sulfonylbismethane, Sulfonyldimethane, Sulphonylbismethane, Dimethyl sulfone, 13C-labeled, Methyl sulfonmethane, Lignisul MSM, Opti MSM, Sulphonyldimethane, dimethyl sulfone |
| Substituent Name | Sulfone, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CS(C)(=O)=O |
| Compound Name | Dimethyl Sulfone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 94.0089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0089 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 94.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -0.17163699999999993 |
| Inchi | InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3 |
| Smiles | CS(=O)(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sulfones |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Meconopsis Punicea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Papaver Bracteatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933