Summary

IMPPAT Phytochemical identifier: IMPHY017961

Phytochemical name: Tert-dodecylthiol

Synonymous chemical names:
tert-dodecylthiol

Chemical structure information

SMILES:
CCCCCCCCCC(S)(C)C

InChI:
InChI=1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3

InChIKey:
FRQQKWGDKVGLFI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCS)C)C

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: 0.414

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Chemical structure download