4-Bromothiazole

CAT: 0926-FB10594-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FB10594-02Size:50 g

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CAS Number

34259-99-9

MDL Number

MFCD06657592

Smiles

C1=C (N=CS1) Br

Molecular Formula

C3H2BrNS

Molecular Weight

164.02 g/mol

Controlled

Chemical Information

4-Bromothiazole

CAS Number	34259-99-9
PubChem CID	2763218
IUPAC Name	4-bromo-1,3-thiazole
Molecular Formula	C3H2BrNS
Molecular Weight	164.03
XLogP	2
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	50

SMILES

C1=C(N=CS1)Br

InChI

InChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H

InChIKey

VDTIGYKLTROQAH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34259-99-9

CID: 2763218

Formula: C3H2BrNS

MW: 164.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.03
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	162.90913
Monoisotopic Mass	162.90913
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	50.1
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
YIB50194	2-Bromothiazole-4-carboxamide
FB07060-01	2-Bromothiazole
FA66897	2-Acetamido-5-bromothiazole
YXB15499-01	5-Bromothiazole-2-carbonitrile
FA13214-01	2-Amino-5-bromothiazole
PGC95888-01	2-Aminomethyl-5-bromothiazole hydrochloride
FA03974-01	2-Amino-5-bromothiazole HBr
FA67150-01	2-Amino-5-bromothiazole-4-carboxylic acid methyl ester
CYB23788-01	Ethyl 5-bromothiazole-2-carboxylate
SQB78160	4- (4-Bromothiazol-2-yl) morpholine

Catalog	Name
431316-01	4-Bromothiazole
416399-01	2-Bromothiazole-4-methanol
OR1081475	4-Bromothiazole-5-carbaldehyde
OR75814-01	4-Bromothiazole-2-carbonitrile
sc-254639	4-Bromothiazole-2-carboxaldehyde
OR1044317-01	4-Bromothiazole-5-carbonitrile
OR1035443-01	4-Bromothiazole-2-carboxamide
266068-01	2-Bromothiazole-4-carbaldehyde
OR42063	2-Bromothiazole-4-carboxamide
414843-01	2-Acetyl-4-bromothiazole