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2-Bromothiazole

CAT: 0926-FB07060-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FB07060-01Size:250 g
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CAS Number
3034-53-5
MDL Number
MFCD00005316
Smiles
C1=CSC (=N1) Br
Molecular Formula
C3H2BrNS
Molecular Weight
164.02 g/mol
Controlled
No

Chemical Information

2-Bromothiazole
CAS Number3034-53-5
PubChem CID76430
IUPAC Name2-bromo-1,3-thiazole
Molecular FormulaC3H2BrNS
Molecular Weight164.03
XLogP1.8
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity50
SMILES
C1=CSC(=N1)Br
InChI
InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H
InChIKey
RXNZFHIEDZEUQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromothiazole
CAS: 3034-53-5
CID: 76430
Formula: C3H2BrNS
MW: 164.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.03
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass162.90913
Monoisotopic Mass162.90913
Topological Polar Surface Area41.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity50.1
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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