| CAS Number | 930395-79-2 |
| Catalog Number | AG019KM5(AGN-PC-0WO8Q0) |
| Chemical Name | trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| IUPAC Name | 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C10H10N2O2S/c1-4-7-5(2)11-6(3)12-9(7)15-8(4)10(13)14/h1-3H3,(H,13,14) |
| InChI Key | AIJMJWLEFKZSRF-UHFFFAOYSA-N |
| MDL Number | MFCD09376391 |
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.2636 |
| SMILES | CC1C2=C(N=C(N=C2C)C)SC=1C(O)=O |
| Synonyms | trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid,
930395-79-2,
2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid,
AC1Q2GJH,
CTK6C3996,
ZINC12505535,
AKOS000117923,
MCULE-8617847662,
NE59056,
EN300-27470,
Z235344291,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.262g/mol |
| Monoisotopic Mass | 222.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number