2-Bromodibenzothiophene

CAT: 0024-sc-486773Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-486773Size:5 g

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CAS Number

22439-61-8

Chemical Information

2-Bromodibenzothiophene

CAS Number	22439-61-8
PubChem CID	299508
IUPAC Name	2-bromodibenzothiophene
Molecular Formula	C12H7BrS
Molecular Weight	263.15
XLogP	5.1
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

InChIKey

IJICRIUYZZESMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22439-61-8

CID: 299508

Formula: C12H7BrS

MW: 263.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.15
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	261.94518
Monoisotopic Mass	261.94518
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-225978	3-Bromobenzothiophene-2-carboxaldehyde
sc-238501	3-Bromobenzothiophene-2-carboxylic acid
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene

Catalog	Name
JH658434	2-BROMODIBENZOTHIOPHENE
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OR916957	4-Bromodibenzothiophene
65642-94-6-01	1-Bromodibenzothiophene
AR-B06408-01	4-Bromodibenzothiophene-d7
REA66869-01	3-Bromodibenzothiophene 5,5-Dioxide
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
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