Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015037

Phytochemical name: 2,4-Dimethoxythiophenol

Synonymous chemical names:
2,4-dimethoxythiophenol

External chemical identifiers:
CID:CID_2758492, ZINC:ZINC000019735366, SureChEMBL:SCHEMBL1402481, MolPort-000-154-713

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)S

InChI:
InChI=1S/C8H10O2S/c1-9-6-3-4-8(11)7(5-6)10-2/h3-5,11H,1-2H3

InChIKey:
FZHTUELUUNCLRZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))S

Functional groups:
cOC, cS

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP-Likeness score: -0.447

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Chemical structure download