CHEBI:23681 - dibenzothiophene

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ChEBI Name dibenzothiophene
ChEBI ID CHEBI:23681
Definition A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H8S
Net Charge 0
Average Mass 184.258
Monoisotopic Mass 184.035
InChI InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey IYYZUPMFVPLQIF-UHFFFAOYSA-N
SMILES C1=2C=3C=CC=CC3SC1=CC=CC2
Roles Classification
Application(s): keratolytic drug
A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.
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ChEBI Ontology
Outgoing dibenzothiophene (CHEBI:23681) has role keratolytic drug (CHEBI:50176)
dibenzothiophene (CHEBI:23681) is a dibenzothiophenes (CHEBI:23684)
dibenzothiophene (CHEBI:23681) is a mancude organic heterotricyclic parent (CHEBI:36416)
Incoming dibenzothiophene 5-oxide (CHEBI:23683) has functional parent dibenzothiophene (CHEBI:23681)
dibenzothiophene sulfone (CHEBI:90356) has functional parent dibenzothiophene (CHEBI:23681)
1,2-dihydroxydibenzothiophene (CHEBI:17212) has parent hydride dibenzothiophene (CHEBI:23681)
IUPAC Name
dibenzo[b,d]thiophene
Synonyms Sources
9-thiafluorene NIST Chemistry WebBook
[1,1'-biphenyl]-2,2'-diyl sulfide NIST Chemistry WebBook
α-thiafluorene NIST Chemistry WebBook
dibenzothiophene UniProt
dibenzothiophene ChemIDplus
diphenylene sulfide NIST Chemistry WebBook
Database Links Databases
c0118 UM-BBD
D03777 KEGG DRUG
Dibenzothiophene Wikipedia
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Registry Numbers Types Sources
121101 Beilstein Registry Number Beilstein
121101 Reaxys Registry Number Reaxys
132-65-0 CAS Registry Number NIST Chemistry WebBook
132-65-0 CAS Registry Number ChemIDplus
83631 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
15092946 PubMed citation Europe PMC
16232582 PubMed citation Europe PMC
16268154 PubMed citation Europe PMC
16391083 PubMed citation Europe PMC
17616875 PubMed citation Europe PMC
21750993 PubMed citation Europe PMC
Last Modified
12 January 2016