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3,4-Dibromothiophene

CAT: 0931-TYD-00014-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00014-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3141-26-2
Bioactivity
3,4-Dibromothiophene is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
BrC1=CSC=C1Br
Molecular Formula
C4H2Br2S
Molecular Weight
241.932
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Dibromothiophene
CAS Number3141-26-2
PubChem CID18452
IUPAC Name3,4-dibromothiophene
Molecular FormulaC4H2Br2S
Molecular Weight241.93
XLogP3
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity58
SMILES
C1=C(C(=CS1)Br)Br
InChI
InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKey
VGKLVWTVCUDISO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dibromothiophene
CAS: 3141-26-2
CID: 18452
Formula: C4H2Br2S
MW: 241.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.93
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass241.82235
Monoisotopic Mass239.82440
Topological Polar Surface Area28.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity58.7
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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