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2-Bromothiazolo[5,4-b]pyridine

CAT: 1266-JH293655Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH293655Size:1 Each
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CAS Number
412923-40-1
UN Code
UN 1987
Hazard Statement
Xi
Stability
Stable. Moisture sensitive - store under dry atmosphere. Incompatible with strong bases, strong oxidizing agents.
Molecular Formula
C6H3BrN2S
Molecular Weight
215.07
Product Name Synonym
2-bromo-[1,3]thiazolo[5,4-b]pyridine
Physical Properties
Fine Powder
Hazardous Class
3.2
Safety Statements
S26; S36/37/39; S36
Density
1.859 g/cm3
Flash Point
142.2oC
RIDADR
UN 1987
Melting Point
155-158oC

Chemical Information

2-Bromo-[1,3]thiazolo[5,4-b]pyridine
CAS Number412923-40-1
PubChem CID45789984
IUPAC Name2-bromo-[1,3]thiazolo[5,4-b]pyridine
Molecular FormulaC6H3BrN2S
Molecular Weight215.07
XLogP2.7
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=CC2=C(N=C1)SC(=N2)Br
InChI
InChI=1S/C6H3BrN2S/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H
InChIKey
VUSLYGKUDDJMMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-[1,3]thiazolo[5,4-b]pyridine
CAS: 412923-40-1
CID: 45789984
Formula: C6H3BrN2S
MW: 215.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.07
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass213.92003
Monoisotopic Mass213.92003
Topological Polar Surface Area54 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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