Products for Research Use Only
RegisterLogin

4-Bromodibenzothiophene

CAT: 0127-OR916957Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR916957Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
97511-05-2
MDL Number
MFCD02683746
Purity
98%
Smiles
Brc1cccc2c3ccccc3sc12

Chemical Information

4-Bromodibenzothiophene
CAS Number97511-05-2
PubChem CID458352
IUPAC Name4-bromodibenzothiophene
Molecular FormulaC12H7BrS
Molecular Weight263.15
XLogP5.1
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity218
SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)Br
InChI
InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKey
GJXAVNQWIVUQOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromodibenzothiophene
CAS: 97511-05-2
CID: 458352
Formula: C12H7BrS
MW: 263.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.15
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass261.94518
Monoisotopic Mass261.94518
Topological Polar Surface Area28.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity218
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

Related Products

CatalogName
OR31664-012-Bromodibenzothiophene
OR316661-Bromodibenzothiophene
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-014,4',4'',4'''-Silanetetrayltetrabenzoic acid

Alternative Products

CatalogName
AR-B06408-014-Bromodibenzothiophene-d7
97511-04-1-013-bromoDibenzothiophene
JH6584342-BROMODIBENZOTHIOPHENE
65642-94-6-011-Bromodibenzothiophene
DCA84685-012-Bromodibenzothiophene 5,5-Dioxide
REA66869-013-Bromodibenzothiophene 5,5-Dioxide
25725310-014,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
sc-284451A4,4,4-Trifluorobutylamine
JXB85075-014,4,4-Trifluorobutanethioamide

Popular Products