Summary

IMPPAT Phytochemical identifier: IMPHY007092

Phytochemical name: 3H-1,2-Dithiole-3-thione

Synonymous chemical names:
3h-1,2-dithiole-3-thione

External chemical identifiers:
CID:68296, ChEMBL:CHEMBL368700, ChEBI:50866, ZINC:ZINC000001846561, FDASRS:WT2QF220RR, SureChEMBL:SCHEMBL362931

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Chemical structure information

SMILES:
S=c1ccss1

InChI:
InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H

InChIKey:
LZENMJMJWQSSNJ-UHFFFAOYSA-N

DeepSMILES:
S=cccss5

Functional groups:
c=S, cssc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
S=c1ccss1

Scaffold Graph/Node level:
SC1CCSS1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dithioles

ClassyFire Subclass: 1,2-dithioles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.565

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Chemical structure download