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Dibenzothiophene

CAT: 0013-GTR19176208-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19176208-01Size:1 ml x 10 mM (in DMSO)
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Description
Dibenzothiophene (Imino semicarbazide) is a sulfur-containing polycyclic aromatic hydrocarbon (PAH) derivative found in petroleum. This three-ring fused compound exhibits keratolytic activity and is utilized in research as a model PAH for studying sulfur heterocycle metabolism and effects in both biochemical and cellular assays.
CAS Number
132-65-0
Product Name Alternative
DBT, Diphenylene Sulfide, Diphenylene sulfide, Dibenzothiophene, inhibit, Imino semicarbazide, Inhibitor
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
99.27% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:1.5 mg/mL (8.14 mM) ; Ethanol:1 mg/mL (5.43 mM) ; DMSO:15 mg/mL (81.41 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
C1=2C=3C (SC1=CC=CC2) =CC=CC3
Molecular Formula
C12H8S
Molecular Weight
184.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dibenzothiophene

Dibenzothiophene is 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. It has a role as a keratolytic drug. It is a member of dibenzothiophenes and a mancude organic heterotricyclic parent.

CAS Number132-65-0
PubChem CID3023
IUPAC Namedibenzothiophene
Molecular FormulaC12H8S
Molecular Weight184.26
XLogP4.4
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity170
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3S2
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
Chemical Structure
2D Structure
2D structure of Dibenzothiophene
CAS: 132-65-0
CID: 3023
Formula: C12H8S
MW: 184.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.26
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass184.03467143
Monoisotopic Mass184.03467143
Topological Polar Surface Area28.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1727-5000Dibenzothiophene
HY-B0973R-01Dibenzothiophene (Standard)
HY-B0973SDibenzothiophene-d8
sc-227777Dibenzothiophene sulfone
OR51865-01Dibenzothiophene sulphone
D07920-01Dibenzothiophene 95%
sc-263088Dibenzothiophene 5-oxide
TRC-D417345-5GDibenzothiophene-2-ol

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