| CAS Number | 86100-63-2 |
| Catalog Number | AG003NSL(AGN-PC-00KYFU) |
| Chemical Name | alpha-Septithiophene , |
| IUPAC Name | 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene |
| InChI | InChI=1S/C28H16S7/c1-3-17(29-15-1)19-5-7-21(31-19)23-9-11-25(33-23)27-13-14-28(35-27)26-12-10-24(34-26)22-8-6-20(32-22)18-4-2-16-30-18/h1-16H |
| InChI Key | DCIYLINCGGGNLC-UHFFFAOYSA-N |
| MDL Number | MFCD09038548 |
| Molecular Formula | C28H18S7 |
| Molecular Weight | 578.8975 |
| SMILES | C1=CSC(=C1)C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CCC(C7=CC=CS7)S6)S5)S4)S3)S2 |
| Synonyms | alpha-Septithiophene,
86100-63-2,
SCHEMBL13942801,
CTK3C7737,
DTXSID70518889,
MFCD09038548,
S0505,
1~2~,2~2~:2~5~,3~2~:3~5~,4~2~:4~5~,5~2~:5~5~,6~2~:6~5~,7~2~-Septithiophene (non-preferred name),
2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2''''''-Septithiophene,
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| Complexity | 661 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 575.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 576.856g/mol |
| Monoisotopic Mass | 575.93g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 198A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number