Summary

IMPPAT Phytochemical identifier: IMPHY001576

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

Synonymous chemical names:
3-vinyl-3, 4-dihydro-1, 2-dithin, 3-vinyl-3,4-dihydro-1,2-dithiin, 3-vinyl-4h-1, 2-dithiin, 34-dihydro-3-vinyl-12-dithiin

External chemical identifiers:
CID:150636, SureChEMBL:SCHEMBL1301059

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Chemical structure information

SMILES:
C=CC1CC=CSS1

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

InChIKey:
NLHCAGKOLUBCBZ-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=CSS6

Functional groups:
C1=CSSCC1, C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CSSCC1

Scaffold Graph/Node level:
C1CCSSC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

NP-Likeness score: 2.902

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Chemical structure download