Summary

IMPPAT Phytochemical identifier: IMPHY003426

Phytochemical name: S-Methyl methanethiosulfonate

Synonymous chemical names:
me ester-methanesulfonothioic acid,9cis

External chemical identifiers:
CID:18064, ChEMBL:CHEMBL1236925, ChEBI:74357, ZINC:ZINC000004268917, FDASRS:0906Z2356U, SureChEMBL:SCHEMBL136797, MolPort-000-157-294

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Chemical structure information

SMILES:
CSS(=O)(=O)C

InChI:
InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3

InChIKey:
XYONNSVDNIRXKZ-UHFFFAOYSA-N

DeepSMILES:
CSS=O)=O)C

Functional groups:
CSS(C)(=O)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Sulfonyls

NP-Likeness score: -0.974

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Chemical structure download