Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001877

Phytochemical name: 1-Propanethiol

Synonymous chemical names:
propane-1-thiol, propanethiol, 1-propanethiol

External chemical identifiers:
CID:CID_7848, ChEMBL:CHEMBL1236818, ChEBI:CHEBI:8473, ZINC:ZINC000000897490, FDASRS:4AB0N08V2H, SureChEMBL:SCHEMBL5467

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Chemical structure information

SMILES:
CCCS

InChI:
InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

InChIKey:
SUVIGLJNEAMWEG-UHFFFAOYSA-N

DeepSMILES:
CCCS

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: Fatty alcohols

NP-Likeness score: -0.187

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Chemical structure download