Summary

IMPPAT Phytochemical identifier: IMPHY005485

Phytochemical name: 4-Methyl-3-sulfanylhexan-1-ol

Synonymous chemical names:
4-methyl-3-sulfanylhexan-1-ol

External chemical identifiers:
CID:20551703, SureChEMBL:SCHEMBL11267170

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Chemical structure information

SMILES:
OCCC(C(CC)C)S

InChI:
InChI=1S/C7H16OS/c1-3-6(2)7(9)4-5-8/h6-9H,3-5H2,1-2H3

InChIKey:
CBYLAMCWEXBWEE-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC))C))S

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: 0.77

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Chemical structure download