Summary

IMPPAT Phytochemical identifier: IMPHY017201

Phytochemical name: 2-Pentylthiophene

Synonymous chemical names:
2-pentyl-thiophene

External chemical identifiers:
CID:20995, ChEBI:89509, ZINC:ZINC000002037537, FDASRS:L79LOS1ZKM, SureChEMBL:SCHEMBL176020, MolPort-001-762-988

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Chemical structure information

SMILES:
CCCCCc1cccs1

InChI:
InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

InChIKey:
NOYVOSGVFSEKPR-UHFFFAOYSA-N

DeepSMILES:
CCCCCccccs5

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: Heteroaromatic compounds

NP-Likeness score: -1.809

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Chemical structure download