| CAS Number | 1444200-40-1 |
| Catalog Number | AG00AQVL |
| Chemical Name | Ditrimethyltinethylhexyl-thienothiophene-benzodithiophene |
| IUPAC Name | [4,8-bis[2-(2-ethylhexyl)thieno[3,2-b]thiophen-5-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane |
| InChI | InChI=1S/C38H40S6.6CH3.2Sn/c1-5-9-11-23(7-3)17-25-19-29-31(41-25)21-33(43-29)35-27-13-15-40-38(27)36(28-14-16-39-37(28)35)34-22-32-30(44-34)20-26(42-32)18-24(8-4)12-10-6-2;;;;;;;;/h13-14,19-24H,5-12,17-18H2,1-4H3;6*1H3;; |
| InChI Key | OBJGKIDTANNASL-UHFFFAOYSA-N |
| MDL Number | MFCD31631750 |
| Molecular Formula | C44H58S6Sn2 |
| Molecular Weight | 1016.7233 |
| SMILES | CCCCC(Cc1cc2c(s1)cc(s2)c1c2sc(cc2c(c2c1cc(s2)[Sn](C)(C)C)c1sc2c(c1)sc(c2)CC(CCCC)CC)[Sn](C)(C)C)CC |
| Synonyms | (4,8-bis(5-(2-ethylhexyl)thieno[3,2-b]thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane),
1444200-40-1,
4,8-Bis(5-(2-ethylhexyl)thieno[3,2-b]thiophen-2-yl)benzo[1,2-b:4,5-bNULL]dithiophene-2,6-diyl)bis(trimethylstannane),
|
| Complexity | 1070 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1016.09009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1016.8g/mol |
| Monoisotopic Mass | 1018.09068g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 169Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number