| CAS Number | 430458-93-8 |
| Catalog Number | AG00DAT7(AGN-PC-0WB4MZ) |
| Chemical Name | (Z)-4-(3-Bromobenzylidene)-2-(methylthio)thiazol-5(4H)-one |
| IUPAC Name | 4-[(3-bromophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one |
| InChI | InChI=1S/C11H8BrNOS2/c1-15-11-13-9(10(14)16-11)6-7-3-2-4-8(12)5-7/h2-6H,1H3 |
| InChI Key | HDNRVWJIEICSRK-UHFFFAOYSA-N |
| MDL Number | MFCD02377267 |
| Molecular Formula | C11H8BrNOS2 |
| Molecular Weight | 314.2213 |
| SMILES | S1C(=O)/C(/N=C1SC)=C/C1=CC=CC(Br)=C1 |
| Synonyms | 430458-93-8,
4-[(3-bromophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one,
CHEMBRDG-BB 6636244,
AC1LFAQS,
CTK4I6932,
DTXSID40353744,
AKOS030253936,
MCULE-5673196490,
(Z)-4-(3-Bromobenzylidene)-2-(methylthio)thiazol-5(4H)-one,
CID750707,
ZINC00199557,
(4Z)-4-(3-BROMOBENZYLIDENE)-2-(METHYLTHIO)-1,3-THIAZOL-5(4H)-ONE,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.215g/mol |
| Monoisotopic Mass | 312.923g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80A^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
Lot Number