| CAS Number | 345633-76-3 |
| Catalog Number | AG00CM70(AGN-PC-03HP1V) |
| Chemical Name | 4,4'-Didodecyl-2,2'-bithiophene |
| IUPAC Name | 4-dodecyl-2-(4-dodecylthiophen-2-yl)thiophene |
| InChI | InChI=1S/C32H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-31(33-27-29)32-26-30(28-34-32)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3 |
| InChI Key | DWWZELSEBSRUMM-UHFFFAOYSA-N |
| MDL Number | MFCD24539449 |
| Molecular Formula | C32H54S2 |
| Molecular Weight | 502.9012 |
| SMILES | CCCCCCCCCCCCC1=CSC(C2=CC(CCCCCCCCCCCC)=CS2)=C1 |
| Synonyms | 4,4'-didodecyl-2,2'-bithiophene,
345633-76-3,
4-dodecyl-2-(4-dodecylthiophen-2-yl)thiophene,
AK501373,
SCHEMBL1323842,
DWWZELSEBSRUMM-UHFFFAOYSA-N,
3,3'-Didodecyl-5,5'-bithiophene,
ZINC115858368,
KS-00000M98,
DA-42691,
DS-18988,
SC-90460,
FT-0765156,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.366694g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.9g/mol |
| Monoisotopic Mass | 502.366694g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 56.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 15.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number