Summary

IMPPAT Phytochemical identifier: IMPHY009653

Phytochemical name: Allyl mercaptan

Synonymous chemical names:
allyl-mercaptan, allylthiol

External chemical identifiers:
CID:13367, ChEMBL:CHEMBL3222024, ChEBI:89888, ZINC:ZINC000060274334, FDASRS:1X587IBY09, SureChEMBL:SCHEMBL21461

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Chemical structure information

SMILES:
SCC=C

InChI:
InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2

InChIKey:
ULIKDJVNUXNQHS-UHFFFAOYSA-N

DeepSMILES:
SCC=C

Functional groups:
C=CC, CS

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 0.156

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Chemical structure download