| CAS Number | 1110903-37-1 |
| Catalog Number | AG01ABIT |
| Chemical Name | 1-{2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one |
| IUPAC Name | 1-[2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone |
| InChI | InChI=1S/C15H17NO3S/c1-9-15(10(2)17)20-14(16-9)8-11-5-6-12(18-3)13(7-11)19-4/h5-7H,8H2,1-4H3 |
| InChI Key | SOWOBZQEDRBXAJ-UHFFFAOYSA-N |
| MDL Number | MFCD11802325 |
| Molecular Formula | C15H17NO3S |
| Molecular Weight | 291.3654 |
| SMILES | COC1=C(OC)C=C(CC2SC(C(C)=O)=C(C)N=2)C=C1 |
| Synonyms | 1-{2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one,
1110903-37-1,
AC1Q46TN,
ZINC23624775,
AKOS009119755,
MCULE-9129028070,
NE18815,
EN300-71749,
Z238755862,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.365g/mol |
| Monoisotopic Mass | 291.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number