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2-(2-Thienyl)ethyl Bromide

CAT: 0572-TRC-T344520-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344520-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26478-16-0
Synonyms
2-(2-Bromoethyl)thiophene; 2-(2-Thienyl)-1-bromoethane; 2-(2-Bromoethyl)thiophene;
Hazard Statement
Combustible liquid
Purity
>95% (HPLC)
Smiles
Cl.CCCSc1c(OC)cc(CCN)c(OC)c1
Molecular Formula
C6H7BrS
Molecular Weight
191.09
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

2-(2-Bromoethyl)thiophene
CAS Number26478-16-0
PubChem CID566160
IUPAC Name2-(2-bromoethyl)thiophene
Molecular FormulaC6H7BrS
Molecular Weight191.09
XLogP2.7
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity65
SMILES
C1=CSC(=C1)CCBr
InChI
InChI=1S/C6H7BrS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKey
JSELWWIIPRBECO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromoethyl)thiophene
CAS: 26478-16-0
CID: 566160
Formula: C6H7BrS
MW: 191.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.09
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass189.94518
Monoisotopic Mass189.94518
Topological Polar Surface Area28.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.5
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