Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018139

Phytochemical name: Thiophene, 2-methoxy-5-methyl-

Synonymous chemical names:
Thiophene, 2-methoxy-5-methyl-

External chemical identifiers:
CID:CID_141615

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Chemical structure information

SMILES:
COc1ccc(s1)C

InChI:
InChI=1S/C6H8OS/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3

InChIKey:
RULFUZCLYMDADI-UHFFFAOYSA-N

DeepSMILES:
COccccs5)C

Functional groups:
cOC, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP-Likeness score: -0.862

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Chemical structure download