Summary

IMPPAT Phytochemical identifier: IMPHY016983

Phytochemical name: Tetrahydrothiophene

Synonymous chemical names:
tetrahydrothiophene

External chemical identifiers:
CID:1127, ChEMBL:CHEMBL1379, ChEBI:48458, ZINC:ZINC000001680812, FDASRS:744EHT13FM, SureChEMBL:SCHEMBL9127, MolPort-000-158-587

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Chemical structure information

SMILES:
C1CCCS1

InChI:
InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2

InChIKey:
RAOIDOHSFRTOEL-UHFFFAOYSA-N

DeepSMILES:
CCCCS5

Functional groups:
CSC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCSC1

Scaffold Graph/Node level:
C1CCSC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiolanes

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.885

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Chemical structure download