Summary

IMPPAT Phytochemical identifier: IMPHY005816

Phytochemical name: Thiosulfinate

Synonymous chemical names:
thiosulfinate

External chemical identifiers:
CID:58219327, SureChEMBL:SCHEMBL12728371

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Chemical structure information

SMILES:
C/C=C/SS(=O)/C=C/C

InChI:
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-6H,1-2H3/b5-3+,6-4+

InChIKey:
GYJUUWJKEUIYPF-GGWOSOGESA-N

DeepSMILES:
C/C=C/SS=O)/C=C/C

Functional groups:
C/C=C/SS(=O)/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Thiosulfinic acid esters

NP-Likeness score: 1.79

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Chemical structure download