| CAS Number | 1955519-70-6 |
| Catalog Number | AG01C52A |
| Chemical Name | thieno[2,3-d]pyrimidine-4-carboxylic acid |
| IUPAC Name | thieno[2,3-d]pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C7H4N2O2S/c10-7(11)5-4-1-2-12-6(4)9-3-8-5/h1-3H,(H,10,11) |
| InChI Key | VOXKHPSKDOLCAC-UHFFFAOYSA-N |
| MDL Number | MFCD30180383 |
| Molecular Formula | C7H4N2O2S |
| Molecular Weight | 180.1839 |
| SMILES | OC(C1=C2C(SC=C2)=NC=N1)=O |
| Synonyms | thieno[2,3-d]pyrimidine-4-carboxylic acid,
1955519-70-6,
AKOS033932324,
thieno[2,3-d]pyrimidine-4-carboxylic,
ZINC407985579,
Z2509351184,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.181g/mol |
| Monoisotopic Mass | 179.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number