Summary

IMPPAT Phytochemical identifier: IMPHY016957

Phytochemical name: 2-Butanethiol

Synonymous chemical names:
2-butanethiol

External chemical identifiers:
CID:10560, ChEMBL:CHEMBL3183438, FDASRS:Y2D731QBYN, SureChEMBL:SCHEMBL25226, MolPort-003-925-756

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Chemical structure information

SMILES:
CCC(S)C

InChI:
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey:
LOCHFZBWPCLPAN-UHFFFAOYSA-N

DeepSMILES:
CCCS)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: Fatty alcohols

NP-Likeness score: 0.079

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Chemical structure download