2-Bromo-5-methylthiazole

CAT: 0024-sc-274401Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-274401Size:1 g

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CAS Number

41731-23-1

Chemical Information

2-Bromo-5-methyl-1,3-thiazole

CAS Number	41731-23-1
PubChem CID	21906106
IUPAC Name	2-bromo-5-methyl-1,3-thiazole
Molecular Formula	C4H4BrNS
Molecular Weight	178.05
XLogP	2.4
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	68

SMILES

CC1=CN=C(S1)Br

InChI

InChI=1S/C4H4BrNS/c1-3-2-6-4(5)7-3/h2H,1H3

InChIKey

FJPZHYAYNAUKKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41731-23-1

CID: 21906106

Formula: C4H4BrNS

MW: 178.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.05
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.92478
Monoisotopic Mass	176.92478
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	68.7
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-470264	5-Bromo-4-methylthiazole
sc-259480	2-Amino-5-bromo-4-methylthiazole
sc-259480A	2-Amino-5-bromo-4-methylthiazole
sc-259617A	2-Bromo-4-methylthiazole
sc-299400A	4-Bromo-2-methylthiazole
sc-299400	4-Bromo-2-methylthiazole
sc-259617	2-Bromo-4-methylthiazole
sc-234924	Ethyl 2-bromo-4-methylthiazole-5-carboxylate
sc-472551	Methyl 5-bromo-2-methylthiazole-4-carboxylate
sc-230016	2-Bromo-4-methylthiazole-5-carboxylic acid

Catalog	Name
435503-01	5-Bromo-2-methylthiazole
TRC-B697780-500MG	2-Bromo-5-methylthiazole
261835-01	5-Bromo-4-methylthiazole
431111-01	4-Bromo-5-methylthiazole
OR500026-01	2-Bromo-4-methylthiazole-5-carbaldehyde
PGC95887-01	5-Bromo-N-methylthiazole-2-carboxamide
435374-01	5-Bromo-2-ethyl-4-methylthiazole
OR1004520	5-Bromo-2-methoxy-4-methylthiazole
EAC03455-01	2-Bromo-4-methylthiazole-5-carbonitrile
OR87791-01	2-Bromo-5-methylthiazole-4-carbonitrile