| CAS Number | 430464-08-7 |
| Catalog Number | AG00DD8T(AGN-PC-0WB4ME) |
| Chemical Name | (Z)-4-(3-Bromo-4-methoxybenzylidene)-2-(methylthio)thiazol-5(4H)-one |
| IUPAC Name | 4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one |
| InChI | InChI=1S/C12H10BrNO2S2/c1-16-10-4-3-7(5-8(10)13)6-9-11(15)18-12(14-9)17-2/h3-6H,1-2H3 |
| InChI Key | WEBQBZVQQKVABN-UHFFFAOYSA-N |
| MDL Number | MFCD02377460 |
| Molecular Formula | C12H10BrNO2S2 |
| Molecular Weight | 344.2473 |
| SMILES | S1C(=O)/C(/N=C1SC)=C/C1C=CC(=C(Br)C=1)OC |
| Synonyms | AC1MEQCD,
430464-08-7,
(Z)-4-(3-Bromo-4-methoxybenzylidene)-2-(methylthio)thiazol-5(4H)-one,
CTK4I6938,
DTXSID60387748,
CHEMBRDG-BB 6637322,
AKOS030253930,
MCULE-4270103574,
EU-0046672,
4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one,
ZINC00199577,
CID2907401,
(4Z)-4-(3-BROMO-4-METHOXYBENZYLIDENE)-2-(METHYLTHIO)-1,3-THIAZOL-5(4H)-ONE,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.241g/mol |
| Monoisotopic Mass | 342.934g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number