| CAS Number | 18646-81-6 |
| Catalog Number | AG00AN0W |
| Chemical Name | Thieno[3,2-b]thiophene-2,5-dicarboxylic acid |
| IUPAC Name | thieno[3,2-b]thiophene-2,5-dicarboxylic acid |
| InChI | InChI=1S/C8H4O4S2/c9-7(10)5-1-3-4(14-5)2-6(13-3)8(11)12/h1-2H,(H,9,10)(H,11,12) |
| InChI Key | JMURVZFFOUWCNW-UHFFFAOYSA-N |
| MDL Number | MFCD01927152 |
| Molecular Formula | C8H4O4S2 |
| Molecular Weight | 228.2450 |
| NSC Number | 625185 |
| SMILES | O=C(C1=CC2=C(C=C(C(O)=O)S2)S1)O |
| Synonyms | Thieno[3,2-b]thiophene-2,5-dicarboxylic acid,
NSC625185,
18646-81-6,
THIENO(3,2-B)THIOPHENE-2,5-DICARBOXYLIC ACID,
AC1Q5UIQ,
AC1L7JJ9,
SCHEMBL1310113,
CHEMBL1991772,
CTK7I7432,
ZINC5813246,
AKOS024406279,
MCULE-8098234025,
NSC-625185,
NCI60_007758,
CID361864,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.236g/mol |
| Monoisotopic Mass | 227.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number