4- (3-Bromophenyl) -1,3-thiazole

CAT: 0926-FBA21650-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FBA21650-01Size:50 mg

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CAS Number

30216-50-3

MDL Number

MFCD02665937

Smiles

C1=CC (=CC (=C1) Br) C2=CSC=N2

Molecular Formula

C9H6BrNS

Molecular Weight

240.12 g/mol

Controlled

Chemical Information

4-(3-Bromophenyl)thiazole

CAS Number	30216-50-3
PubChem CID	3916777
IUPAC Name	4-(3-bromophenyl)-1,3-thiazole
Molecular Formula	C9H6BrNS
Molecular Weight	240.12
XLogP	3.3
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	153

SMILES

C1=CC(=CC(=C1)Br)C2=CSC=N2

InChI

InChI=1S/C9H6BrNS/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H

InChIKey

KSNVDVLNUFVSQW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30216-50-3

CID: 3916777

Formula: C9H6BrNS

MW: 240.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.12
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	238.94043
Monoisotopic Mass	238.94043
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153
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
FBA21649-01	4- (2-Bromophenyl) -1,3-thiazole
CBA14927-01	2- (4-Bromophenyl) -1,3-thiazole
JJB47162-01	5- (4-Bromophenyl) -1,3-thiazole
FB169670	4- (4-bromophenyl) -2- (3-pyridyl) -1,3-thiazole
YDA59151-01	2-Bromo-4- (4-bromophenyl) -1,3-thiazole
FBA21647-01	2- (3-Bromophenyl) -1,3-thiazole
ALB58778-01	4- (4-Bromophenyl) -1,3-thiazole-5-carboxylic acid
FB169341-01	2- ((3-Bromophenyl) amino) -1,3-thiazole-4-carboxylic acid
FB169347-01	2- ((4-Bromophenyl) amino) -1,3-thiazole-4-carboxylic acid
FA54343-01	2-Amino-4- (4-bromophenyl) thiazole

Catalog	Name
OR1091517	2- (3-Bromophenyl) thiazole
sc-261292A	4- (3-Bromophenyl) -2-methyl-1,3-thiazole
sc-339639	2- (3-bromophenyl) -4- (chloromethyl) -1,3-thiazole
sc-273808	2- (3-bromophenyl) -1,3-thiazole-4-carbaldehyde
OR43538	Ethyl 4- (3-bromophenyl) -1,3-thiazole-2-carboxylate
413374-01	2- (3-Bromophenyl) -1,3-thiazole-4-carboxylic acid
sc-339640A	2- (3-bromophenyl) -4- (chloromethyl) -1,3-thiazole hydrochloride
OR1044839-01	2- (3-Bromophenyl) thiazole-4-carbaldehyde
OR1043450-01	2- (3-Bromophenyl) benzo[D]thiazole
OR5603-01	2-Amino-4- (4-bromophenyl) -1,3-thiazole