Summary

IMPPAT Phytochemical identifier: IMPHY006498

Phytochemical name: 3-Mercapto-2-methylpentan-1-ol

Synonymous chemical names:
3-mercapto-2-methylpentan-1-ol

External chemical identifiers:
CID:6430888, FDASRS:7XRY329G5S, SureChEMBL:SCHEMBL1011492, MolPort-009-683-202

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Chemical structure information

SMILES:
CCC(C(CO)C)S

InChI:
InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

InChIKey:
HABNNYNSJFKZFE-UHFFFAOYSA-N

DeepSMILES:
CCCCCO))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: 1.186

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Chemical structure download