| CAS Number | 1610377-11-1 |
| Catalog Number | AG00HYN5(AGN-PC-0WAYH1) |
| Chemical Name | 4-ethyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H10N2O2S/c1-2-7-8(9(13)14)15-10(11-7)12-5-3-4-6-12/h3-6H,2H2,1H3,(H,13,14) |
| InChI Key | UJYUJDHVBRLJHG-UHFFFAOYSA-N |
| MDL Number | MFCD26130172 |
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.2636 |
| SMILES | CCC1=C(C(O)=O)SC(N2C=CC=C2)=N1 |
| Synonyms | 4-ethyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylic acid,
1610377-11-1,
4-Ethyl-2-(1H-pyrrol-1-yl)thiazole-5-carboxylic acid,
ALBB-030762,
HTS003791,
MFCD26130172,
STL445700,
ZINC96511585,
AKOS021982451,
BS-3239,
KS-0000238B,
F8888-4815,
C10H10N2O2S,
|
| Complexity | 244 |
| 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 | 3 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number