S-Methyl methanethiosulphonate

ScientificNameLabel

S-Methyl methanethiosulphonate
PHCD compound ID :	4570
Chemical Names :	S-Methyl methanethiosulphonate
Molecular Formula :	C2H6O2S2
Molecular Weight :	125.980921

More Details :

Names & Synonyms:	methylsulfonylsulfanylmethane , (methylsulfonylthio)methane , (mesylthio)methane
Smiles:	CSS(=O)(=O)C
InChi :	InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChi Key :	InChIKey=XYONNSVDNIRXKZ-UHFFFAOYSA-N
PubChem ID :	18064

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.508397
Hydrogen bond donor count :	0	Electric dipole moment :	3.108
XLogP :	0.345	VDW volume :	97.746929
Molecular weight :	125.980921	HOMO-LUMO gap :	8.378000

Herb list :

Wild garlic - Allium hirtifolium - موسیر

Refrences & Litretures:


703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'

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