Summary

IMPPAT Phytochemical identifier: IMPHY015964

Phytochemical name: 3,5-Dimethyl-1,2,4-trithiolane

Synonymous chemical names:
trans-3,5-dimethyl-1,2,4-trithiolane

External chemical identifiers:
CID:32033, FDASRS:FQN903SX70, SureChEMBL:SCHEMBL4946941

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Chemical structure information

SMILES:
CC1SSC(S1)C

InChI:
InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3

InChIKey:
HFRUNLRFNNTTPQ-UHFFFAOYSA-N

DeepSMILES:
CCSSCS5)C

Functional groups:
CC1SSC(C)S1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1SCSS1

Scaffold Graph/Node level:
C1SCSS1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Trithiolanes

NP-Likeness score: 0.248

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Chemical structure download