| CAS Number | 1094385-75-7 |
| Catalog Number | AG01AHPC(AGN-PC-0WOBMX) |
| Chemical Name | 2-(thiophen-3-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-thiophen-3-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H5NO2S2/c10-8(11)6-3-9-7(13-6)5-1-2-12-4-5/h1-4H,(H,10,11) |
| InChI Key | VGZDKHKEXMWAFI-UHFFFAOYSA-N |
| MDL Number | MFCD11208448 |
| Molecular Formula | C8H5NO2S2 |
| Molecular Weight | 211.2608 |
| SMILES | OC(C1SC(C2=CSC=C2)=NC=1)=O |
| Synonyms | 2-(thiophen-3-yl)-1,3-thiazole-5-carboxylic acid,
1094385-75-7,
ZINC36930157,
AKOS009332330,
NE34420,
EN300-75401,
Z1270358395,
|
| 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 |
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Certificate of Analysis
Lot Number