| CAS Number | 54986-99-1 |
| Catalog Number | AG019YMS(AGN-PC-0WOB6M) |
| Chemical Name | 2-(Thiophen-2-yl)-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 2-thiophen-2-yl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C8H5NOS2/c10-5-6-4-9-8(12-6)7-2-1-3-11-7/h1-5H |
| InChI Key | OGLRIDOHTCKNEF-UHFFFAOYSA-N |
| MDL Number | MFCD14615183 |
| Molecular Formula | C8H5NOS2 |
| Molecular Weight | 195.2614 |
| SMILES | O=CC1SC(C2SC=CC=2)=NC=1 |
| Synonyms | 2-(thiophen-2-yl)-1,3-thiazole-5-carbaldehyde,
54986-99-1,
5-Thiazolecarboxaldehyde, 2-(2-thienyl)-,
SCHEMBL585060,
OGLRIDOHTCKNEF-UHFFFAOYSA-N,
ZINC40996402,
AKOS010535636,
NE33002,
2-thiophen-2-yl-thiazole-5-carbaldehyde,
2-(thiophen-2-yl)thiazole-5-carbaldehyde,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.254g/mol |
| Monoisotopic Mass | 194.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number