Summary

IMPPAT Phytochemical identifier: IMPHY003609

Phytochemical name: Allyl prop-1-enyl disulfide

Synonymous chemical names:
(e)-2-propenyl-1-propenyl-disulfide

External chemical identifiers:
CID:5352855, ZINC:ZINC000033838538, FDASRS:D5HZ9XV5EI, SureChEMBL:SCHEMBL6130005

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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-GQCTYLIASA-N

DeepSMILES:
C=CCSS/C=C/C

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

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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