Summary

IMPPAT Phytochemical identifier: IMPHY016149

Phytochemical name: 1-Octadecanethiol

Synonymous chemical names:
1-octadecanethiol

External chemical identifiers:
CID:17905, ZINC:ZINC000086050946, SureChEMBL:SCHEMBL25850, MolPort-003-938-523

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCS

InChI:
InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

InChIKey:
QJAOYSPHSNGHNC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCS

Functional groups:
CS

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thiols

ClassyFire Subclass: Alkylthiols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.201

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Chemical structure download