5-Bromoisothiazole

CAT: 0024-sc-357850Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-357850Size:1 g

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CAS Number

54390-97-5

Chemical Information

5-Bromo-1,2-thiazole

CAS Number	54390-97-5
PubChem CID	12631174
IUPAC Name	5-bromo-1,2-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(SN=C1)Br

InChI

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

InChIKey

XNONRNKAYRHZDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54390-97-5

CID: 12631174

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
sc-277159	4-Bromoisothiazole
sc-262725	5,5,5-Trifluorovaleronitrile
sc-284696	5,5,5-Trifluoronorvaline
sc-262724	5,5,5-Trifluorovaleric acid
sc-262724A	5,5,5-Trifluorovaleric acid
sc-207058	5,5-Diethoxypentanal
sc-239077	5,5-Dimethylhydantoin
sc-207059D	5,5'-Dihydroxylysinonorleucine
sc-262727	5,5'-Dimethyldipyrromethane
sc-239077A	5,5-Dimethylhydantoin

Catalog	Name
OR78309	5-Bromoisothiazole
FB142249-01	3-Bromoisothiazole
OR1076696	3-Bromoisothiazole-5-carboxylic acid
265707-01	4-Bromoisothiazole
OR1004428	4-Bromoisothiazole-3-carboxamide
OR1004433	4-Bromoisothiazole-3-carbonitrile
232986-01	4-Bromoisothiazole ≥95% (NMR)
OR1051490	4-Bromoisothiazole-3-carboxylic acid
OR1004429	Methyl 4-bromoisothiazole-3-carboxylate
234404-01	5,5,5-Trifluoronorvaline