Summary

IMPPAT Phytochemical identifier: IMPHY015467

Phytochemical name: Methylthiomethyl Acetate

Synonymous chemical names:
acetic acid methyl-thio-methyl ester

External chemical identifiers:
CID:167540, ZINC:ZINC000002545384, SureChEMBL:SCHEMBL2951968, MolPort-006-390-462

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Chemical structure information

SMILES:
CSCOC(=O)C

InChI:
InChI=1S/C4H8O2S/c1-4(5)6-3-7-2/h3H2,1-2H3

InChIKey:
LCUMNXCSNFGGGH-UHFFFAOYSA-N

DeepSMILES:
CSCOC=O)C

Functional groups:
CSCOC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioacetals

ClassyFire Subclass: Monothioacetals

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.28

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Chemical structure download