| CAS Number | 882659-01-0 |
| Catalog Number | AG00IMG3(AGN-PC-0CMVPW) |
| Chemical Name | 2,2':5',2'':5'',2'''-Quaterthiophene, 5,5'''-dioctyl- |
| IUPAC Name | 2-(3-octylthiophen-2-yl)-5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophene |
| InChI | InChI=1S/C32H42S4/c1-3-5-7-9-11-13-15-25-21-23-33-31(25)29-19-17-27(35-29)28-18-20-30(36-28)32-26(22-24-34-32)16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3 |
| InChI Key | FNBJFRKUEAGVGH-UHFFFAOYSA-N |
| MDL Number | MFCD28387984 |
| Molecular Formula | C32H42S4 |
| Molecular Weight | 554.9359 |
| SMILES | CCCCCCCCC1=C(SC=C1)C1=CC=C(S1)C1=CC=C(S1)C1=C(CCCCCCCC)C=CS1 |
| Synonyms | 882659-01-0,
SCHEMBL10164726,
5,5'-Bis(3-octyl-2-thienyl)-2,2'-bithiophene,
CID10602842,
5,5'''-Di-n-octyl-2,2':5',2'':5'',2'''-quaterthiophene,
3-octyl-2-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene,
|
| Complexity | 533 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 554.217g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 554.928g/mol |
| Monoisotopic Mass | 554.217g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 13.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number