3,3'-Bithiophene - CAS 3172-56-3
Catalog: |
BB021037 |
Product Name: |
3,3'-Bithiophene |
CAS: |
3172-56-3 |
Synonyms: |
3-(3-thiophenyl)thiophene; 3-thiophen-3-ylthiophene |
IUPAC Name: | 3-thiophen-3-ylthiophene |
Description: | 3,3'-Bithiophene (CAS# 3172-56-3) is a useful research chemical. |
Molecular Weight: | 166.26 |
Molecular Formula: | C8H6S2 |
Canonical SMILES: | C1=CSC=C1C2=CSC=C2 |
InChI: | InChI=1S/C8H6S2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H |
InChI Key: | IAAQEGBHNXAHBF-UHFFFAOYSA-N |
Boiling Point: | 197.6 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
Appearance: | Yellow to deep yellow red crystals or powder |
MDL: | MFCD00041214 |
LogP: | 3.47660 |
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PMID | Publication Date | Title | Journal |
21580726 | 20100324 | 3,3'-Bithio-phene | Acta crystallographica. Section E, Structure reports online |
19772333 | 20091015 | Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study | The journal of physical chemistry. A |
16521155 | 20060410 | Thiophene-thiophene versus phenyl-phenyl coupling in 2-(Diphenylamino)-Thiophenes: an ESR-UV/Vis/NIR spectroelectrochemical study | Chemphyschem : a European journal of chemical physics and physical chemistry |
16149775 | 20050916 | Steric and electronic tuning of chiral bis(oxazoline) ligands with 3,3'-bithiophene backbone | The Journal of organic chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 99.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.99109254 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.99109254 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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