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4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole - 98%, high purity , CAS No.1192352-10-5
Basic Description
Synonyms | 1192352-10-5 | DTXSID20737200 | 4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole | 2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-5,6-bis(octyloxy)- | D89164 | SCHEMBL2373992 | 4,7-BIS(5-BROMOTHIOPHEN-2-YL)-5,6-BIS(OCTYLOXY)-2, |
Specifications & Purity | ≥98% |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | 4,7-bis(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole |
INCHI | InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3 |
InChi Key | QNBPEQCRDXBBCR-UHFFFAOYSA-N |
Canonical SMILES | CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br |
Isomeric SMILES | CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br |
PubChem CID | 67384415 |
Molecular Weight | 714.63 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 74 °C |
Molecular Weight | 714.600 g/mol |
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XLogP3 | 13.300 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 7 |
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Rotatable Bond Count | 18 |
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Exact Mass | 714.044 Da |
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Monoisotopic Mass | 712.046 Da |
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Topological Polar Surface Area | 129.000 Ų |
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Heavy Atom Count | 39 |
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Formal Charge | 0 |
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Complexity | 630.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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