| CAS Number | 514188-77-3 |
| Catalog Number | AG00IMG4(AGN-PC-0HG40D) |
| Chemical Name | 2,2':5',2'':5'',2'''-Quaterthiophene, 5,5'''-didecyl- |
| IUPAC Name | 2-decyl-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene |
| InChI | InChI=1S/C36H50S4/c1-3-5-7-9-11-13-15-17-19-29-21-23-31(37-29)33-25-27-35(39-33)36-28-26-34(40-36)32-24-22-30(38-32)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3 |
| InChI Key | IYCHXHNXTBDCNT-UHFFFAOYSA-N |
| MDL Number | MFCD29472524 |
| Molecular Formula | C36H50S4 |
| Molecular Weight | 611.0422 |
| SMILES | CCCCCCCCCCC1=CC=C(S1)C1=CC=C(S1)C1=CC=C(S1)C1=CC=C(CCCCCCCCCC)S1 |
| Synonyms | 5,5'''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene,
514188-77-3,
SCHEMBL2573563,
D4888,
|
| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 610.28g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 611.036g/mol |
| Monoisotopic Mass | 610.28g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 15.7 |
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Certificate of Analysis
Lot Number