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133750-15-9 | Thiophene, 3,4-dibutyl-2,5-diiodo-
CAS No: 133750-15-9 Catalog No: AG007MYN MDL No:
Product Description
Catalog Number:
AG007MYN
Chemical Name:
Thiophene, 3,4-dibutyl-2,5-diiodo-
CAS Number:
133750-15-9
Molecular Formula:
C12H18I2S
Molecular Weight:
448.1453
IUPAC Name:
3,4-dibutyl-2,5-diiodothiophene
InChI:
InChI=1S/C12H18I2S/c1-3-5-7-9-10(8-6-4-2)12(14)15-11(9)13/h3-8H2,1-2H3
InChI Key:
DGKRWXZUCUDQKN-UHFFFAOYSA-N
SMILES:
CCCCc1c(I)sc(c1CCCC)I
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.922g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.145g/mol
Monoisotopic Mass:
447.922g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Oligomeric ligands incorporating multiple 5,5'-diethynyl-2,2'-bipyridine moieties bridged and end-capped by 3,4-dibutylthiophene units. | The Journal of organic chemistry 20050304 |
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