Summary

IMPPAT Phytochemical identifier: IMPHY016613

Phytochemical name: Dibenzyl disulfide

Synonymous chemical names:
dibenzyl disulfide

External chemical identifiers:
CID:9012, ChEMBL:CHEMBL121047, ChEBI:72752, ZINC:ZINC000001867028, FDASRS:BG7680605N, SureChEMBL:SCHEMBL16332737, MolPort-002-051-888

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Chemical structure information

SMILES:
S(Cc1ccccc1)SCc1ccccc1

InChI:
InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey:
GVPWHKZIJBODOX-UHFFFAOYSA-N

DeepSMILES:
SCcccccc6)))))))SCcccccc6

Functional groups:
CSSC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CSSCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CSSCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: -0.154

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Chemical structure download