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22':5'2''-Terthiophene

CAT: 0013-GTR19158037-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158037-01Size:200 mg
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Description
22':5'2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 22':5'2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
CAS Number
1081-34-1
Product Name Alternative
α-Terthienyl | Trithiophene
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (402.59 mM)
Smiles
C1csc (c1) -c1ccc (s1) -c1cccs1
Molecular Formula
C12H8S3
Molecular Weight
248.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2,2':5',2''-Terthiophene

2,2':5',2''-terthiophene is a terthiophene.

CAS Number1081-34-1
PubChem CID65067
IUPAC Name2,5-dithiophen-2-ylthiophene
Molecular FormulaC12H8S3
Molecular Weight248.4
XLogP4.4
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity197
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
InChIKey
KXSFECAJUBPPFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2':5',2''-Terthiophene
CAS: 1081-34-1
CID: 65067
Formula: C12H8S3
MW: 248.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass247.97881378
Monoisotopic Mass247.97881378
Topological Polar Surface Area84.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity197
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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Alternative Products

CatalogName
MBS3610303-0122':5'2''-Terthiophene
HY-N2048-012,2':5',2''-Terthiophene
OR1066569-015-Bromo-2,2':5',2''-terthiophene
4195522,2':5',2''-Terthiophene-5-carboxaldehyde
OR1042721-01[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde
OR1025484-015,5''-Diiodo-2,2':5',2''-Terthiophene
OR10561745-Hexyl-2,2':5',2''-terthiophene
HY-N2048R-012,2':5',2''-Terthiophene (Standard)
sc-2270205,5''-Dibromo-2,2':5',2''-terthiophene
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