Summary

IMPPAT Phytochemical identifier: IMPHY001976

Phytochemical name: 1,2-Dithiin

Synonymous chemical names:
dithiin

External chemical identifiers:
CID:12044565, SureChEMBL:SCHEMBL1042486

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Chemical structure information

SMILES:
S1SC=CC=C1

InChI:
InChI=1S/C4H4S2/c1-2-4-6-5-3-1/h1-4H

InChIKey:
RIYVKHUVXPAOPS-UHFFFAOYSA-N

DeepSMILES:
SSC=CC=C6

Functional groups:
C1=CSSC=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CSSC=C1

Scaffold Graph/Node level:
C1CCSSC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dithiins

NP-Likeness score: 0.704

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Chemical structure download