2-Methyl-5-bromobenzothiazole

CAT: 0127-OR322183-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR322183-01Size:250 mg

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CAS Number

63837-11-6

MDL Number

MFCD00603096

Purity

98%

Smiles

Cc1nc2cc(Br)ccc2s1

Chemical Information

5-Bromo-2-methylbenzothiazole

CAS Number	63837-11-6
PubChem CID	3017457
IUPAC Name	5-bromo-2-methyl-1,3-benzothiazole
Molecular Formula	C8H6BrNS
Molecular Weight	228.11
XLogP	3.5
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

CC1=NC2=C(S1)C=CC(=C2)Br

InChI

InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

InChIKey

OLQKNZNXLBILDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63837-11-6

CID: 3017457

Formula: C8H6BrNS

MW: 228.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.11
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	226.94043
Monoisotopic Mass	226.94043
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	11
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
OR015035-01	5-Bromobenzothiazole
OR79523-01	2-Bromobenzothiazole-6-carboxylic acid methyl ester
OR916942-01	Methyl 5-methyl-2-furoate
OR40553-01	Methyl 2-methyl-5-nitrobenzoate
OR17822	Methyl 5-methyl-2-nitrobenzoate
OR91765-01	Methyl 2-methyl-5-nitroisonicotinate
OR1080964	Methyl 5-methyl-2-propoxybenzoate
OR62197-01	Methyl 5- (dimethylamino) -2-methyl-5-oxopentanoate
PC1015093-01	Methyl 2-fluoro-5-methyl-α-oxobenzeneacetate
OR922580-01	2-Methyl-5-[ (methylamino) methyl]pyridine

Catalog	Name
sc-262546A	5-Bromobenzothiazole
sc-225142	2-Amino-5-bromobenzothiazole
sc-254180	2-Bromobenzothiazole
MXB92852-01	5-bromobenzothiazole-2-carboxylic acid
435831-01	5-Bromobenzothiazole-2-sulfonic acid
TRC-A594190-2.5G	2-Amino-5-bromobenzothiazole 3-Oxide
FWB28727-01	Methyl 2-Amino-4-bromobenzothiazole-6-carboxylate
TYD-00395	2-Amino-6-bromobenzothiazole
sc-321487	2-Amino-4-bromobenzothiazole
sc-299974	6-Bromobenzothiazole