Summary

IMPPAT Phytochemical identifier: IMPHY012242

Phytochemical name: 3-Methylthiopropylamine

Synonymous chemical names:
propylamine, 3-methylthio

External chemical identifiers:
CID:77743, ChEBI:16696, ZINC:ZINC000001529637, FDASRS:1IAP0CGD5S, SureChEMBL:SCHEMBL22662, MolPort-003-938-062

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Chemical structure information

SMILES:
CSCCCN

InChI:
InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3

InChIKey:
KKYSBGWCYXYOHA-UHFFFAOYSA-N

DeepSMILES:
CSCCCN

Functional groups:
CN, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioethers

ClassyFire Subclass: Dialkylthioethers

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP-Likeness score: -0.182

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Chemical structure download