Summary

IMPPAT Phytochemical identifier: IMPHY012918

Phytochemical name: cis-3,5-Diethyl-1,2,4-trithiolane

Synonymous chemical names:
cis-3,5-diethyl-1,2,4-trithiolane, trithiolane, 1-2-4, cis-3-5-diethyl

External chemical identifiers:
CID:6431294, ZINC:ZINC000032152906, FDASRS:V2YE273DGE, SureChEMBL:SCHEMBL7131311

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Chemical structure information

SMILES:
CC[C@@H]1SS[C@@H](S1)CC

InChI:
InChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6+

InChIKey:
WQXXXHMEBYGSBG-OLQVQODUSA-N

DeepSMILES:
CC[C@@H]SS[C@@H]S5)CC

Functional groups:
C[C@@H]1SS[C@H](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: 0.232

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Chemical structure download