Summary

IMPPAT Phytochemical identifier: IMPHY015667

Phytochemical name: Ethyl methylthioacetate

Synonymous chemical names:
ethyl methylthioacetate

External chemical identifiers:
CID:12284386, ZINC:ZINC000056956243, SureChEMBL:SCHEMBL1360454

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Chemical structure information

SMILES:
CCOC(=S)CC

InChI:
InChI=1S/C5H10OS/c1-3-5(7)6-4-2/h3-4H2,1-2H3

InChIKey:
XJDQUPFWVIUWNZ-UHFFFAOYSA-N

DeepSMILES:
CCOC=S)CC

Functional groups:
COC(C)=S

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Thiocarboxylic acids and derivatives

ClassyFire Subclass: Thioesters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.475

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Chemical structure download