Summary

IMPPAT Phytochemical identifier: IMPHY013109

Phytochemical name: 2,4,6-Triethyl-1,3,5-trithiane

Synonymous chemical names:
2,4,6-triethyl-1,3,5-trithiane

External chemical identifiers:
CID:12487714, ChEBI:174133, ZINC:ZINC000039236335, SureChEMBL:SCHEMBL11820605

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Chemical structure information

SMILES:
CCC1SC(CC)SC(S1)CC

InChI:
InChI=1S/C9H18S3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3

InChIKey:
PHQSYHLEPPMJSU-UHFFFAOYSA-N

DeepSMILES:
CCCSCCC))SCS6)CC

Functional groups:
CC1SC(C)SC(C)S1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1SCSCS1

Scaffold Graph/Node level:
C1SCSCS1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Trithianes

NP-Likeness score: 0.042

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Chemical structure download