| CAS Number | 1352642-35-3 |
| Catalog Number | AG009YEU(AGN-PC-0WQUKT) |
| Chemical Name | 4,8-Di(2-(2-ethylhexyl)thiophene-5-yl)-benzo[1,2-b |
| IUPAC Name | 4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole |
| InChI | InChI=1S/C34H42S4/c1-5-9-11-23(7-3)21-25-13-15-29(37-25)31-27-17-19-36-34(27)32(28-18-20-35-33(28)31)30-16-14-26(38-30)22-24(8-4)12-10-6-2/h13-20,23-24H,5-12,21-22H2,1-4H3 |
| InChI Key | NNTCBLBIVSUXIW-UHFFFAOYSA-N |
| MDL Number | MFCD30749254 |
| Molecular Formula | C34H42S4 |
| Molecular Weight | 578.9573 |
| SMILES | CCCCC(CC)CC1=CC=C(C2=C3C(C=CS3)=C(C4=CC=C(CC(CC)CCCC)S4)C5=C2C=CS5)S1 |
| Synonyms | 4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene,
4,8-Bis[5-(2-ethylhexyl)thiophen-2-yl]benzo[1,2-b:4,5-b']dithiophene,
SCHEMBL16353196,
B5485,
4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene,
1352642-35-3,
|
| Complexity | 640 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 578.216936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 579g/mol |
| Monoisotopic Mass | 578.216936g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 113Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.2 |
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Certificate of Analysis
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