| CAS Number | 868238-00-0 |
| Catalog Number | AG019OLZ(AGN-PC-0WAKQ9) |
| Chemical Name | 2-(Thiophen-3-yl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-thiophen-3-yl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H5NO2S2/c10-8(11)6-4-13-7(9-6)5-1-2-12-3-5/h1-4H,(H,10,11) |
| InChI Key | JZSRMMAFRQYIHP-UHFFFAOYSA-N |
| MDL Number | MFCD07343850 |
| Molecular Formula | C8H5NO2S2 |
| Molecular Weight | 211.2608 |
| SMILES | OC(C1N=C(C2=CSC=C2)SC=1)=O |
| Synonyms | 2-(thiophen-3-yl)-1,3-thiazole-4-carboxylic acid,
868238-00-0,
2-thien-3-yl-1,3-thiazole-4-carboxylic acid,
AC1OFK0X,
2-thiophen-3-yl-1,3-thiazole-4-carboxylic Acid,
AC1Q742N,
CTK7J0755,
ZINC4218334,
AKOS009029062,
NE33758,
EN300-14475,
2-(3-thienyl)-1,3-thiazole-4-carboxylic acid,
AB00740706-01,
Z104341238,
CID7130819,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.253g/mol |
| Monoisotopic Mass | 210.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number