Summary

IMPPAT Phytochemical identifier: IMPHY009683

Phytochemical name: 2-Vinyl-4H-1,3-dithiine

Synonymous chemical names:
2-vinyl-4h-1, 3-dithiin, 2-vinyl-4h-1, 3-dithin, 2-vinyl-4h-1,3-dithiin, 2-vinyl-4h-13-dithiin, 2-vinyl-4h[1,3]-dithiin

External chemical identifiers:
CID:133337, SureChEMBL:SCHEMBL1300233

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Chemical structure information

SMILES:
C=CC1SCC=CS1

InChI:
InChI=1S/C6H8S2/c1-2-6-7-4-3-5-8-6/h2-4,6H,1,5H2

InChIKey:
XUKBDTUPIIADOP-UHFFFAOYSA-N

DeepSMILES:
C=CCSCC=CS6

Functional groups:
C=CC1SC=CCS1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CSCSC1

Scaffold Graph/Node level:
C1CSCSC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dithiins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.423

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Chemical structure download