Summary

IMPPAT Phytochemical identifier: IMPHY005896

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

Synonymous chemical names:
5,6-dihydro-2,4,6-triethyl-4h-1,3,5-dithiazine

External chemical identifiers:
CID:547350, FDASRS:9PHT7XFK4F, SureChEMBL:SCHEMBL4946971

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Chemical structure information

SMILES:
CCC1NC(CC)SC(S1)CC

InChI:
InChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3

InChIKey:
AANIECMHWBXFCP-UHFFFAOYSA-N

DeepSMILES:
CCCNCCC))SCS6)CC

Functional groups:
CC1NC(C)SC(C)S1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1NCSCS1

Scaffold Graph/Node level:
C1NCSCS1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azacyclic compounds

ClassyFire Subclass: Dithiazinanes

NP-Likeness score: 0.221

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Chemical structure download