2,4-dibromodibenzothiophene

CAT: 1266-JH915675Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH915675Size:1 Each

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CAS Number

186822-42-4

Molecular Formula

C12H6Br2S

Molecular Weight

342.05

Chemical Information

2,4-Dibromodibenzo[b,d]thiophene

CAS Number	186822-42-4
PubChem CID	85714516
IUPAC Name	2,4-dibromodibenzothiophene
Molecular Formula	C12H6Br2S
Molecular Weight	342.05
XLogP	5.7
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	246

SMILES

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

InChI

InChI=1S/C12H6Br2S/c13-7-5-9-8-3-1-2-4-11(8)15-12(9)10(14)6-7/h1-6H

InChIKey

PNKYJFALBICZKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186822-42-4

CID: 85714516

Formula: C12H6Br2S

MW: 342.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.05
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	341.85365
Monoisotopic Mass	339.85570
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246
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
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JH16940	1- (2,4,4-trimethylpentan-2-yl) -4-[4- (2,4,4-trimethylpentan-2-yl) phenoxy]benzene
JH918246	2,2'-dimethyl-4,4'-bithiophene
JH919735	2- (() ) -4-
JH919480	4- (2- (4,4-Dimethyl-4,5-dihydrooxazol-2-yl) propan-2-yl) phenethyl 4-methylbenzenesulfonate
JH14558	2,2,4,4,6,6-Hexamethylcyclotrisilazane
JH916046	2,2'-bipyridine-4,4'-diphosphonic Acid
JH917294	2- (4-) [2,3]
JH918574	4-bromo-4'-phenyl-2,2':6',2''-terpyridine
JH917378	4- (2,2,2-trifluoroethyl) piperidine-4-carboxylic acid

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