83R

dibenzothiophene

Created:	2017-04-05
Last modified:	2017-08-09

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1 entries where 83R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	15

2D diagram of 83R

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Chemical Component Summary
Name	dibenzothiophene
Systematic Name (OpenEye OEToolkits)	dibenzothiophene
Formula	C₁₂ H₈ S
Molecular Weight	184.257
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	s1c2ccccc2c3ccccc13
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c3ccccc3s2
Canonical SMILES	CACTVS	3.385	s1c2ccccc2c3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c3ccccc3s2
InChI	InChI	1.03	InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey	InChI	1.03	IYYZUPMFVPLQIF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3023
ChEMBL	CHEMBL219828
ChEBI	CHEBI:23681
CCDC/CSD	KUQXIG, DBTTNB, DBZTHP03, DBZTHP01, KUQXAY, DBZTHP02, CONJAQ, KUQWOL, BAHFEV, DBZTHP, KUQWUR, IMIKIB, IMILAU

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.