Summary

IMPPAT Phytochemical identifier: IMPHY009575

Phytochemical name: 1-Propenyl allyl thiosulfinate

Synonymous chemical names:
1-propenyl allyl thiosulfinates, 1-propenyl-allyl-thiosulfinate

External chemical identifiers:
CID:129704166

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Chemical structure information

SMILES:
C=CCSS(=O)O/C=C/C

InChI:
InChI=1S/C6H10O2S2/c1-3-5-8-10(7)9-6-4-2/h3-5H,2,6H2,1H3/b5-3+

InChIKey:
WPDHUYWPDPXLNX-HWKANZROSA-N

DeepSMILES:
C=CCSS=O)O/C=C/C

Functional groups:
C/C=C/OS(=O)SC, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 1.032

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Chemical structure download