Summary

IMPPAT Phytochemical identifier: IMPHY017458

Phytochemical name: 2-Methylpentadecane-2-thiol

Synonymous chemical names:
1,1-dimethyltetradecyl hydrosulfide

External chemical identifiers:
CID:545889, ZINC:ZINC000002584427, SureChEMBL:SCHEMBL50029

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(S)(C)C

InChI:
InChI=1S/C16H34S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h17H,4-15H2,1-3H3

InChIKey:
ZJCZFAAXZODMQT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCS)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: 0.317

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Chemical structure download