4-Bromoisothiazole

CAT: 0024-sc-277159Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-277159Size:200 mg

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CAS Number

24340-77-0

Chemical Information

4-Bromo-isothiazole

CAS Number	24340-77-0
PubChem CID	5200358
IUPAC Name	4-bromo-1,2-thiazole
Molecular Formula	C3H2BrNS
Molecular Weight	164.03
XLogP	1.7
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(C=NS1)Br

InChI

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

InChIKey

XAGKUQWKQVTDSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24340-77-0

CID: 5200358

Formula: C3H2BrNS

MW: 164.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.03
XLogP3	1.7
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
sc-357850A	5-Bromoisothiazole
sc-357850	5-Bromoisothiazole
sc-357601	3-Bromoisothiazolo[3,4-b]pyridine
sc-357601A	3-Bromoisothiazolo[3,4-b]pyridine
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide

Catalog	Name
265707-01	4-Bromoisothiazole
OR1004428	4-Bromoisothiazole-3-carboxamide
OR1004433	4-Bromoisothiazole-3-carbonitrile
FB142249-01	3-Bromoisothiazole
OR78309	5-Bromoisothiazole
232986-01	4-Bromoisothiazole ≥95% (NMR)
OR1051490	4-Bromoisothiazole-3-carboxylic acid
OR1004429	Methyl 4-bromoisothiazole-3-carboxylate
OR1076696	3-Bromoisothiazole-5-carboxylic acid
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate