Summary

IMPPAT Phytochemical identifier: IMPHY017357

Phytochemical name: 2H-Thiopyran-3(6H)-one

Synonymous chemical names:
2h-thiopyran-3(6h)-one

External chemical identifiers:
CID:534113

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Chemical structure information

SMILES:
O=C1CSCC=C1

InChI:
InChI=1S/C5H6OS/c6-5-2-1-3-7-4-5/h1-2H,3-4H2

InChIKey:
LFRAZHPZBTYCQY-UHFFFAOYSA-N

DeepSMILES:
O=CCSCC=C6

Functional groups:
CC=CC(C)=O, CSC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCSC1

Scaffold Graph/Node level:
OC1CCCSC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiopyrans

NP-Likeness score: 0.78

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Chemical structure download