| CAS Number | 502764-53-6 |
| Catalog Number | AG019F1K(AGN-PC-0HWC2S) |
| Chemical Name | thieno[3,2-b]thieno[2,2-d]thiophenedicarboxylicacid |
| IUPAC Name | 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylic acid |
| InChI | InChI=1S/C10H4O4S3/c11-9(12)5-1-3-7(16-5)8-4(15-3)2-6(17-8)10(13)14/h1-2H,(H,11,12)(H,13,14) |
| InChI Key | XQMFYBSHBCPMBJ-UHFFFAOYSA-N |
| MDL Number | MFCD23103810 |
| Molecular Formula | C10H4O4S3 |
| Molecular Weight | 284.3314 |
| SMILES | S1C(=CC2=C1C1=C(S2)C=C(S1)C(=O)O)C(=O)O |
| Synonyms | 502764-53-6,
Dithieno[3,2-b:2',3'-d]thiophene-2,6-dicarboxylic acid,
thieno[3,2-b]thieno[2',2'-d]thiophenedicarboxylic acid,
SCHEMBL12606667,
ZINC149376207,
CS-0060740,
3,3'-Thio-2,2'-bi[thiophene-5-carboxylic acid],
thieno[3,2-b]thieno[2,2-d]thiophenedicarboxylicacid,
DTT-2,6-dicarboxylic acid,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.318g/mol |
| Monoisotopic Mass | 283.927g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 159A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number