| CAS Number | 903173-81-9 |
| Catalog Number | AG018MQF(AGN-PC-3H4H6K) |
| Chemical Name | 2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-pyrrol-1-yl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H6N2O2S/c11-7(12)6-5-13-8(9-6)10-3-1-2-4-10/h1-5H,(H,11,12) |
| InChI Key | GQBLTVLHOARDLG-UHFFFAOYSA-N |
| MDL Number | MFCD16653221 |
| Molecular Formula | C8H6N2O2S |
| Molecular Weight | 194.2104 |
| SMILES | OC(C1N=C(N2C=CC=C2)SC=1)=O |
| Synonyms | 2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxylic acid,
903173-81-9,
ALBB-030890,
ZINC6750915,
MFCD16653221,
AKOS006337082,
MCULE-4456707739,
2-(pyrrol-1-yl)-1,3-thiazole-4-carboxylic acid,
F2158-0755,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.208g/mol |
| Monoisotopic Mass | 194.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number