Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005908

Phytochemical name: Furfuryl mercaptan

Synonymous chemical names:
Furfurylmercaptan, furfurylmercaptan

External chemical identifiers:
CID:CID_7363, ChEMBL:CHEMBL3560314, ChEBI:CHEBI:166536, ZINC:ZINC000000388704, FDASRS:29W096TCPG, SureChEMBL:SCHEMBL125084, MolPort-000-156-178

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Chemical structure information

SMILES:
SCc1ccco1

InChI:
InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2

InChIKey:
ZFFTZDQKIXPDAF-UHFFFAOYSA-N

DeepSMILES:
SCcccco5

Functional groups:
CS, 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: -1.135

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Chemical structure download