| CAS Number | 430459-57-7 |
| Catalog Number | AG006ZP0(AGN-PC-0WB4MJ) |
| Chemical Name | (4Z)-4-(5-bromo-2-methoxybenzylidene)-2-(methylthio)-1,3-thiazol-5(4H)-one |
| IUPAC Name | 4-[(5-bromo-2-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one |
| InChI | InChI=1S/C12H10BrNO2S2/c1-16-10-4-3-8(13)5-7(10)6-9-11(15)18-12(14-9)17-2/h3-6H,1-2H3 |
| InChI Key | ZFFSRKSCKBCCIT-UHFFFAOYSA-N |
| MDL Number | MFCD02377355 |
| Molecular Formula | C12H10BrNO2S2 |
| Molecular Weight | 344.2473 |
| SMILES | S1C(=O)/C(/N=C1SC)=C/C1C=C(Br)C=CC=1OC |
| Synonyms | 430459-57-7,
(4Z)-4-(5-BROMO-2-METHOXYBENZYLIDENE)-2-(METHYLTHIO)-1,3-THIAZOL-5(4H)-ONE,
(Z)-4-(5-Bromo-2-methoxybenzylidene)-2-(methylthio)thiazol-5(4H)-one,
AGN-PC-0JXKTC,
AC1MEP6O,
CTK4I6933,
DTXSID40387741,
AKOS030253934,
MCULE-5756300478,
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one,
CHEMBRDG-BB 6634325,
ZINC00458006,
CID2906882,
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| 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
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Certificate of Analysis
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