Summary

IMPPAT Phytochemical identifier: IMPHY016049

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

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

External chemical identifiers:
CID:6432398, ZINC:ZINC000032152913, FDASRS:H276S1B73A, SureChEMBL:SCHEMBL7069635

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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-/m1/s1

InChIKey:
WQXXXHMEBYGSBG-PHDIDXHHSA-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