Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002000

Phytochemical name: Allyl propyl tetrasulfide

Synonymous chemical names:
allyl propyl tetrasulfide

External chemical identifiers:
CID:CID_527477

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Chemical structure information

SMILES:
CCCSSSSCC=C

InChI:
InChI=1S/C6H12S4/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-6H2,2H3

InChIKey:
WMYACRLMJNCCQB-UHFFFAOYSA-N

DeepSMILES:
CCCSSSSCC=C

Functional groups:
CSSSSC, C=CC

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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: 1.434

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Chemical structure download