| CAS Number | 352694-18-9 |
| Catalog Number | AG00C5XJ(AGN-PC-0WB4J1) |
| Chemical Name | (Z)-5-(5-Bromo-2,3-dimethoxybenzylidene)-2-thioxothiazolidin-4-one |
| IUPAC Name | 5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H10BrNO3S2/c1-16-8-5-7(13)3-6(10(8)17-2)4-9-11(15)14-12(18)19-9/h3-5H,1-2H3,(H,14,15,18) |
| InChI Key | FHXHFVSXLQIMCW-UHFFFAOYSA-N |
| MDL Number | MFCD01647948 |
| Molecular Formula | C12H10BrNO3S2 |
| Molecular Weight | 360.2467 |
| SMILES | N1C(=O)/C(/SC1=S)=C/C1=CC(Br)=CC(OC)=C1OC |
| Synonyms | 352694-18-9,
CHEMBRDG-BB 6377737,
(Z)-5-(5-Bromo-2,3-dimethoxybenzylidene)-2-thioxothiazolidin-4-one,
AC1MFKGO,
CTK4H4150,
AKOS030253925,
MCULE-9760160359,
5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one,
ZINC00997871,
CID2895791,
(5Z)-5-(5-bromo-2,3-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one,
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| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.24g/mol |
| Monoisotopic Mass | 358.929g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number