Summary

IMPPAT Phytochemical identifier: IMPHY016543

Phytochemical name: 1-Butanethiol

Synonymous chemical names:
butanethiol

External chemical identifiers:
CID:8012, ChEMBL:CHEMBL3188256, ZINC:ZINC000004706588, FDASRS:77OY909F30, SureChEMBL:SCHEMBL23795, MolPort-001-783-829

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Chemical structure information

SMILES:
CCCCS

InChI:
InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

InChIKey:
WQAQPCDUOCURKW-UHFFFAOYSA-N

DeepSMILES:
CCCCS

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: 0.108

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Chemical structure download