Summary

IMPPAT Phytochemical identifier: IMPHY005842

Phytochemical name: 6-Mercapto-1-hexanol

Synonymous chemical names:
6-mercapto-hexan-1-ol

External chemical identifiers:
CID:560126, ZINC:ZINC000004501369, SureChEMBL:SCHEMBL36563, MolPort-003-933-235

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Chemical structure information

SMILES:
OCCCCCCS

InChI:
InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

InChIKey:
UGZAJZLUKVKCBM-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCS

Functional groups:
CO, 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: Fatty alcohols

NP-Likeness score: 0.946

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Chemical structure download