| CAS Number | 953902-12-0 |
| Catalog Number | AG019LM9(AGN-PC-0WO4P9) |
| Chemical Name | 2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C10H10N2O2S/c1-6-5-8(9(13)14)7(2)12(6)10-11-3-4-15-10/h3-5H,1-2H3,(H,13,14) |
| InChI Key | MMRRNHQDDPKVFA-UHFFFAOYSA-N |
| MDL Number | MFCD09732323 |
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.2636 |
| SMILES | CC1N(C2SC=CN=2)C(C)=C(C(O)=O)C=1 |
| Synonyms | 2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboxylic acid,
953902-12-0,
AC1Q2HQE,
CTK7I6989,
ZINC20282475,
AKOS000141071,
MCULE-3443615145,
NE31170,
EN300-31756,
Z425389656,
|
| Complexity | 262 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.262g/mol |
| Monoisotopic Mass | 222.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number