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2-Bromo-4-ethynylthiazole

CAT: 0926-LYB52019-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-LYB52019-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1211520-19-2
MDL Number
MFCD26806421
Smiles
C#CC1=CSC (=N1) Br
Molecular Formula
C5H2BrNS
Molecular Weight
188.04 g/mol
Controlled
No

Chemical Information

2-Bromo-4-ethynylthiazole
CAS Number1211520-19-2
PubChem CID104048420
IUPAC Name2-bromo-4-ethynyl-1,3-thiazole
Molecular FormulaC5H2BrNS
Molecular Weight188.05
XLogP2.3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity128
SMILES
C#CC1=CSC(=N1)Br
InChI
InChI=1S/C5H2BrNS/c1-2-4-3-8-5(6)7-4/h1,3H
InChIKey
JVFLUNNICQIATO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-ethynylthiazole
CAS: 1211520-19-2
CID: 104048420
Formula: C5H2BrNS
MW: 188.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.05
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass186.90913
Monoisotopic Mass186.90913
Topological Polar Surface Area41.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity128
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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