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3593-75-7

3593-75-7 | Dithieno[3,2-b:2',3'-d]thiophene

CAS No: 3593-75-7 Catalog No: AG003800 MDL No:MFCD06656577

Product Description

Catalog Number:
AG003800
Chemical Name:
Dithieno[3,2-b:2',3'-d]thiophene
CAS Number:
3593-75-7
Molecular Formula:
C8H4S3
Molecular Weight:
196.3124
MDL Number:
MFCD06656577
IUPAC Name:
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
InChI:
InChI=1S/C8H4S3/c1-3-9-7-5(1)11-6-2-4-10-8(6)7/h1-4H
InChI Key:
VGWBXRXNERKBSJ-UHFFFAOYSA-N
SMILES:
c1cc2c(s1)c1c(s2)ccs1

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.948g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.3g/mol
Monoisotopic Mass:
195.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Literature

Title Journal
Electronic and optical properties of 4H-cyclopenta[2,1-b:3,4-b']bithiophene derivatives and their 4-heteroatom-substituted analogues: a joint theoretical and experimental comparison. The journal of physical chemistry. B 20101118
Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study. The journal of physical chemistry. B 20100121
Organic dyes incorporating the dithieno[3,2-b:2',3'-d]thiophene moiety for efficient dye-sensitized solar cells. Organic letters 20100101
Photochromic oligothienoacene derivatives with photo-switchable luminescence properties and computational studies. Chemical communications (Cambridge, England) 20081107
Reduced band gap dithieno[3,2-b:2',3'-d]pyrroles: new n-type organic materials via unexpected reactivity. Organic letters 20080417
Planar beta-linked oligothiophenes based on thieno[3,2-b]thiophene and dithieno[3,2-b:2',3'-d]thiophene fused units. Organic letters 20070315
Electronic modulation of dithienothiophene (DTT) as pi-center of D-pi-D chromophores on optical and redox properties: analysis by UV-Vis-NIR and Raman spectroscopies combined with electrochemistry and quantum chemical DFT calculations. Journal of the American Chemical Society 20041020
Improved synthesis of dithieno[3,2-b:2',3'-d]thiophene (DTT) and derivatives for cross coupling. Chemical communications (Cambridge, England) 20021021

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