Summary

IMPPAT Phytochemical identifier: IMPHY016289

Phytochemical name: 2-Vinyl-1,3-dithiane

Synonymous chemical names:
2-vinyl-1,3-dithiane

External chemical identifiers:
CID:521985

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Chemical structure information

SMILES:
C=CC1SCCCS1

InChI:
InChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h2,6H,1,3-5H2

InChIKey:
SIZZLUKBSIWVMD-UHFFFAOYSA-N

DeepSMILES:
C=CCSCCCS6

Functional groups:
C=CC(SC)SC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CSCSC1

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: Dithianes

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.441

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Chemical structure download