| CAS Number | 886361-88-2 |
| Catalog Number | AG00IUIB(AGN-PC-0WAUZ2) |
| Chemical Name | 3-(dimethylamino)-1-(1,3-thiazol-2-yl)-2-buten-1-one |
| IUPAC Name | 3-(dimethylamino)-1-(1,3-thiazol-2-yl)but-2-en-1-one |
| InChI | InChI=1S/C9H12N2OS/c1-7(11(2)3)6-8(12)9-10-4-5-13-9/h4-6H,1-3H3 |
| InChI Key | SYZYSQDQMRKJPR-UHFFFAOYSA-N |
| MDL Number | MFCD08056641 |
| Molecular Formula | C9H12N2OS |
| Molecular Weight | 196.2694 |
| SMILES | S1C=CN=C1C(/C=C(/N(C)C)C)=O |
| Synonyms | 3-(dimethylamino)-1-(1,3-thiazol-2-yl)-2-buten-1-one,
3-(Dimethylamino)-1-(thiazol-2-yl)but-2-en-1-one,
886361-88-2,
CTK5J8613,
KS-00001Y5D,
AKOS030245010,
MCULE-6662584686,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.268g/mol |
| Monoisotopic Mass | 196.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number