Summary

IMPPAT Phytochemical identifier: IMPHY007943

Phytochemical name: Ethyl 2-mercaptopropionate

Synonymous chemical names:
ethyl 2-mercaptopropanoate

External chemical identifiers:
CID:519709, ChEBI:173549, FDASRS:3I8OLS586D, SureChEMBL:SCHEMBL1172124, MolPort-003-960-083

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Chemical structure information

SMILES:
CCOC(=O)C(S)C

InChI:
InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3

InChIKey:
LXXNWCFBZHKFPT-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CS)C

Functional groups:
COC(C)=O, CS

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.358

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Chemical structure download