Summary

IMPPAT Phytochemical identifier: IMPHY007203

Phytochemical name: 1-Pentanethiol

Synonymous chemical names:
thioamyl alcohol

External chemical identifiers:
CID:8067, ChEBI:173322, ZINC:ZINC000003860664, FDASRS:9A3YK965F3, SureChEMBL:SCHEMBL37855, MolPort-001-782-698

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Chemical structure information

SMILES:
CCCCCS

InChI:
InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3

InChIKey:
ZRKMQKLGEQPLNS-UHFFFAOYSA-N

DeepSMILES:
CCCCCS

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: 0.457

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Chemical structure download