| CAS Number | 1398395-83-9 |
| Catalog Number | AG01E3FM |
| Chemical Name | 2-Decyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene |
| IUPAC Name | 7-decyl-2-phenyl-[1]benzothiolo[3,2-b][1]benzothiole |
| InChI | InChI=1S/C30H32S2/c1-2-3-4-5-6-7-8-10-13-22-16-18-25-27(20-22)31-30-26-19-17-24(21-28(26)32-29(25)30)23-14-11-9-12-15-23/h9,11-12,14-21H,2-8,10,13H2,1H3 |
| InChI Key | ZIQBVBKYAZMQPC-UHFFFAOYSA-N |
| MDL Number | MFCD32062887 |
| Molecular Formula | C30H32S2 |
| Molecular Weight | 456.7051 |
| SMILES | C(CCCCCCCCC)C1=CC2=C(C=C1)C=1SC3=C(C1S2)C=CC(=C3)C3=CC=CC=C3 |
| Synonyms | Ph-BTBT-10,
SCHEMBL15581017,
2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene,
2-Decyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene,
1398395-83-9,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.194543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.7g/mol |
| Monoisotopic Mass | 456.194543g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 56.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12.1 |
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Certificate of Analysis
Lot Number