Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002075

Phytochemical name: 2-Hydroxyethyl disulfide

Synonymous chemical names:
ethanol,2,2' dithiobis, ethanol,2,2'-dithiobis

External chemical identifiers:
CID:CID_15906, ChEMBL:CHEMBL1233278, ChEBI:CHEBI:43136, ZINC:ZINC000001665970, FDASRS:45543L74BS, SureChEMBL:SCHEMBL94190, MolPort-003-931-428

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Chemical structure information

SMILES:
OCCSSCCO

InChI:
InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

InChIKey:
KYNFOMQIXZUKRK-UHFFFAOYSA-N

DeepSMILES:
OCCSSCCO

Functional groups:
CO, CSSC

Link to spectral information:
MSBNK-MSSJ-MSJ00070, MSBNK-MSSJ-MSJ00069

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.456

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Chemical structure download