Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004037

Phytochemical name: 3-(Methylthio)-1-hexanol

Synonymous chemical names:
3-(methylthio)hexanol, 3-(methylthio)hexan-1-ol

External chemical identifiers:
CID:CID_65413, FDASRS:CFU4A74TQT, SureChEMBL:SCHEMBL112659, MolPort-003-929-644

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Chemical structure information

SMILES:
CCCC(CCO)SC

InChI:
InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3

InChIKey:
JSASXSHMJYRPCM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO)))SC

Functional groups:
CO, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioethers

ClassyFire Subclass: Dialkylthioethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.268

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Chemical structure download