| CAS Number | 1258650-46-2 |
| Catalog Number | AG01AAG8(AGN-PC-0WO2SX) |
| Chemical Name | 2-[(prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(prop-2-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H8N2O3S/c1-2-3-9-6(11)7-10-5(4-14-7)8(12)13/h2,4H,1,3H2,(H,9,11)(H,12,13) |
| InChI Key | XHFTZXACCMHJII-UHFFFAOYSA-N |
| MDL Number | MFCD17167176 |
| Molecular Formula | C8H8N2O3S |
| Molecular Weight | 212.2257 |
| SMILES | OC(C1N=C(C(NCC=C)=O)SC=1)=O |
| Synonyms | 2-[(prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid,
1258650-46-2,
EN300-68496,
AC1Q741X,
ZINC57218592,
AKOS026727002,
MCULE-9305663930,
NE53690,
BBV-40201249,
Z1160899475,
2-[(Prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid, AldrichCPR,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.223g/mol |
| Monoisotopic Mass | 212.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number