Summary

IMPPAT Phytochemical identifier: IMPHY015479

Phytochemical name: Allyl propyl sulfide

Synonymous chemical names:
allyl-propyl-sulfide

External chemical identifiers:
CID:98781, ZINC:ZINC000001644622, FDASRS:6038AN0CTJ, SureChEMBL:SCHEMBL3506130, MolPort-000-005-311

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Chemical structure information

SMILES:
CCCSCC=C

InChI:
InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3

InChIKey:
JMLIYQJQKZYHDQ-UHFFFAOYSA-N

DeepSMILES:
CCCSCC=C

Functional groups:
C=CC, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: -0.535

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Chemical structure download