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4-Bromo-2-ethylthiazole

CAT: 0572-TRC-B679255-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B679255-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120258-27-7
Hazard Statement
No Data Available
Smiles
CCc1nc(Br)cs1
Molecular Formula
C5 H6 Br N S
Molecular Weight
192.077
InChI
InChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
Additionnal Information
IUPAC name: 4-bromo-2-ethyl-1,3-thiazole
Shipping Conditions
Room Temperature

Chemical Information

4-Bromo-2-ethylthiazole
CAS Number120258-27-7
PubChem CID18761614
IUPAC Name4-bromo-2-ethyl-1,3-thiazole
Molecular FormulaC5H6BrNS
Molecular Weight192.08
XLogP2.8
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
CCC1=NC(=CS1)Br
InChI
InChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
InChIKey
UGOTVBQVKYAZSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-ethylthiazole
CAS: 120258-27-7
CID: 18761614
Formula: C5H6BrNS
MW: 192.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.08
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass190.94043
Monoisotopic Mass190.94043
Topological Polar Surface Area41.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.8
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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