Summary

IMPPAT Phytochemical identifier: IMPHY016834

Phytochemical name: trans-Propenyl propyl disulfide

Synonymous chemical names:
propyl trans-1-propenyl disulfide

External chemical identifiers:
CID:5320722, ZINC:ZINC000033833395, FDASRS:5O37LS610N, SureChEMBL:SCHEMBL1395808

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Chemical structure information

SMILES:
CCCSS/C=C/C

InChI:
InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

InChIKey:
AAPBYIVJOWCMGH-HWKANZROSA-N

DeepSMILES:
CCCSS/C=C/C

Functional groups:
C/C=C/SSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

NP-Likeness score: 2.162

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Chemical structure download