Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005666

Phytochemical name: 2-(Methylthio)ethanol

Synonymous chemical names:
2-methylthioethanol

External chemical identifiers:
CID:CID_78925, ChEMBL:CHEMBL277871, ChEBI:CHEBI:63861, ZINC:ZINC000001577077, FDASRS:5K6TOE95UY, SureChEMBL:SCHEMBL61752, MolPort-001-779-998

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Chemical structure information

SMILES:
CSCCO

InChI:
InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

InChIKey:
WBBPRCNXBQTYLF-UHFFFAOYSA-N

DeepSMILES:
CSCCO

Functional groups:
CSC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioethers

ClassyFire Subclass: Dialkylthioethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: -0.353

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Chemical structure download