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Compound: 5546
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References: 992
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dimethyl sulfone
ScientificNameLabel
dimethyl sulfone
PHCD compound ID :
4719
Chemical Names :
dimethyl sulfone
Molecular Formula :
C2H6O2S1
Molecular Weight :
94.00885
More Details :
Names & Synonyms:
methylsulfonylmethane , mesylmethane
Smiles:
CS(=O)(=O)C
InChi :
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
InChi Key :
InChIKey=HHVIBTZHLRERCL-UHFFFAOYSA-N
PubChem ID :
6213
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
10.865452
Hydrogen bond donor count :
0
Electric dipole moment :
5.490
XLogP :
0.09
VDW volume :
79.237905
Molecular weight :
94.00885
HOMO-LUMO gap :
12.043000
Herb list :
Alfalfa, Lucerne - Medicago sativa - یونجه
Refrences & Litretures:
749. Journal:'J. Agric. food Chem' Year:'1983' Volume:'31' Page:'38' DOI:'10.1021/jf00115a010' Title:'Composition of the Essential Oil of Alfalfa'
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