Summary

IMPPAT Phytochemical identifier: IMPHY012607

Phytochemical name: 2-Methyl-1,3-oxathiane

Synonymous chemical names:
2-methyl-1,3-oxathiane

External chemical identifiers:
CID:542685, ChEBI:173457, SureChEMBL:SCHEMBL762705

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Chemical structure information

SMILES:
CC1OCCCS1

InChI:
InChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3

InChIKey:
VKZBKCJAWXBYBF-UHFFFAOYSA-N

DeepSMILES:
CCOCCCS6

Functional groups:
COC(C)SC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COCSC1

Scaffold Graph/Node level:
C1COCSC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxathianes

NP-Likeness score: -0.354

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Chemical structure download