Summary

IMPPAT Phytochemical identifier: IMPHY000178

Phytochemical name: 2-Methyl-1-propanethiol

Synonymous chemical names:
2-methyl-propane-1-thiol

External chemical identifiers:
CID:10558, ZINC:ZINC000005008005, FDASRS:9H070UFP2X, SureChEMBL:SCHEMBL7015, MolPort-003-925-949

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Chemical structure information

SMILES:
SCC(C)C

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

InChIKey:
BDFAOUQQXJIZDG-UHFFFAOYSA-N

DeepSMILES:
SCCC)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: 0.043

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Chemical structure download