Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001868

Phytochemical name: 3-Vinyl-1,2-dithiacyclohex-4-ene

Synonymous chemical names:
3-vinyl-1,2-dithi-4-ene, 3-vinyl-1,2-dithiacyclohex-4-ene

External chemical identifiers:
CID:CID_525328, SureChEMBL:SCHEMBL2928659

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Chemical structure information

SMILES:
C=CC1SSCC=C1

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

InChIKey:
UQXHSMWBRGWFBK-UHFFFAOYSA-N

DeepSMILES:
C=CCSSCC=C6

Functional groups:
C=CC, CSSC, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCSSC1

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 Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 3.083

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Chemical structure download