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5-Bromothieno[3,2-b]pyridine

CAT: 0926-WZB55544-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB55544-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246555-44-1
MDL Number
MFCD18253888
Smiles
C1=CC (=NC2=C1SC=C2) Br
Molecular Formula
C7H4BrNS
Molecular Weight
214.08 g/mol
Controlled
No

Chemical Information

5-Bromothieno[3,2-b]pyridine
CAS Number1246555-44-1
PubChem CID82394087
IUPAC Name5-bromothieno[3,2-b]pyridine
Molecular FormulaC7H4BrNS
Molecular Weight214.08
XLogP3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CC(=NC2=C1SC=C2)Br
InChI
InChI=1S/C7H4BrNS/c8-7-2-1-6-5(9-7)3-4-10-6/h1-4H
InChIKey
VINXSDPSCQKXII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromothieno[3,2-b]pyridine
CAS: 1246555-44-1
CID: 82394087
Formula: C7H4BrNS
MW: 214.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.08
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass212.92478
Monoisotopic Mass212.92478
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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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