Summary

IMPPAT Phytochemical identifier: IMPHY005498

Phytochemical name: 1-Pentanesulfenothioic acid

Synonymous chemical names:
1-pentanesulfenothioic acid

External chemical identifiers:
CID:21251947, ChEBI:173570, SureChEMBL:SCHEMBL87767

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Chemical structure information

SMILES:
CCCCCSS

InChI:
InChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3

InChIKey:
DPLYGYOSWLFGGY-UHFFFAOYSA-N

DeepSMILES:
CCCCCSS

Functional groups:
CSS

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Sulfenyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: -0.289

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Chemical structure download