5-Bromo-4-methylthiazole

CAT: 0024-sc-470264Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-470264Size:100 mg

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CAS Number

111600-83-0

Chemical Information

5-Bromo-4-methyl-1,3-thiazole

CAS Number	111600-83-0
PubChem CID	15020997
IUPAC Name	5-bromo-4-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=C(SC=N1)Br

InChI

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

InChIKey

IIMLZWMRQNCPTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111600-83-0

CID: 15020997

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-274401	2-Bromo-5-methylthiazole
sc-299400A	4-Bromo-2-methylthiazole
sc-259617A	2-Bromo-4-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
sc-254708	4-Methylthiazole-5-carboxaldehyde
sc-239065	5-Methylthiazole

Catalog	Name
261835-01	5-Bromo-4-methylthiazole
431111-01	4-Bromo-5-methylthiazole
OR500026-01	2-Bromo-4-methylthiazole-5-carbaldehyde
435374-01	5-Bromo-2-ethyl-4-methylthiazole
OR1004520	5-Bromo-2-methoxy-4-methylthiazole
EAC03455-01	2-Bromo-4-methylthiazole-5-carbonitrile
234020-01	5-Bromo-4-methylthiazole ≥95% (GC)
OR87791-01	2-Bromo-5-methylthiazole-4-carbonitrile
OR88907-01	2-Bromo-4-methylthiazole-5-carboxamide
435503-01	5-Bromo-2-methylthiazole