Summary

IMPPAT Phytochemical identifier: IMPHY001543

Phytochemical name: Propylene sulfide

Synonymous chemical names:
1,2-epithiopropane

External chemical identifiers:
CID:14072, SureChEMBL:SCHEMBL182351, MolPort-001-782-841

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Chemical structure information

SMILES:
CC1CS1

InChI:
InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3

InChIKey:
MBNVSWHUJDDZRH-UHFFFAOYSA-N

DeepSMILES:
CCCS3

Functional groups:
CC1CS1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CS1

Scaffold Graph/Node level:
C1CS1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiiranes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Carane monoterpenoids

NP-Likeness score: -0.191

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Chemical structure download