Summary

IMPPAT Phytochemical identifier: IMPHY013334

Phytochemical name: 1-Methyldithio-2-propanone

Synonymous chemical names:
1-methyldithio-2-propanone

External chemical identifiers:
CID:22952976, FDASRS:513B7U71D6, SureChEMBL:SCHEMBL5134497

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Chemical structure information

SMILES:
CSSCC(=O)C

InChI:
InChI=1S/C4H8OS2/c1-4(5)3-7-6-2/h3H2,1-2H3

InChIKey:
YEJCGTMYOCNYLT-UHFFFAOYSA-N

DeepSMILES:
CSSCC=O)C

Functional groups:
CC(C)=O, CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.347

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Chemical structure download