Summary

IMPPAT Phytochemical identifier: IMPHY005388

Phytochemical name: Allyl propyl disulfide

Synonymous chemical names:
2-prrpenyl propyl disulfide, allyl propyl disulfide, allyl-propyl-disulfide, allylpropyl disulphide

External chemical identifiers:
CID:16591, ChEMBL:CHEMBL3187351, ChEBI:173628, ZINC:ZINC000002038819, FDASRS:0167D73R1T, SureChEMBL:SCHEMBL1300739, MolPort-005-940-397

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Chemical structure information

SMILES:
CCCSSCC=C

InChI:
InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3

InChIKey:
FCSSPCOFDUKHPV-UHFFFAOYSA-N

DeepSMILES:
CCCSSCC=C

Functional groups:
C=CC, CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.139

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Chemical structure download