Summary

IMPPAT Phytochemical identifier: IMPHY017299

Phytochemical name: Furfuryl methyl sulfide

Synonymous chemical names:
furan, 2-[(methylthio)methyl]-

External chemical identifiers:
CID:518937, ZINC:ZINC000000409334, FDASRS:LMB8355W32, SureChEMBL:SCHEMBL1357473, MolPort-003-960-071

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Chemical structure information

SMILES:
CSCc1ccco1

InChI:
InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3

InChIKey:
SKSFHXVDHVKIBN-UHFFFAOYSA-N

DeepSMILES:
CSCcccco5

Functional groups:
CSC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -1.769

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Chemical structure download