Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001994

Phytochemical name: (E)-1-Propenyl 2-propenyl disulfide

Synonymous chemical names:
(z)-form-1-propenyl-2-propenyl disulfide,, (e)-form-1-propenyl-2-propenyl disulfide,, allyl cis-1-propenyl disulfide, (z)-2-propenyl-1-propenyl-disulfide

External chemical identifiers:
CID:CID_5352907, ChEBI:CHEBI:173609, ZINC:ZINC000014679889, SureChEMBL:SCHEMBL6130004

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Chemical structure information

SMILES:
C=CCSS/C=C\C

InChI:
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-

InChIKey:
KBXOGESWPIVMNJ-XQRVVYSFSA-N

DeepSMILES:
C=CCSS/C=C\C

Functional groups:
C=CC, C/C=C\SSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 2.597

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Chemical structure download