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(Z)-N-(5-(5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide , CAS No.301223-63-2
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | C1=CC=C(C=C1)C(=O)NN2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O |
|---|---|
| IUPAC Name | N-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]benzamide |
| InChIKey | IRBJHEMGQCIDFE-UHFFFAOYSA-N |
| INCHI | 1S/C18H10BrN3O3S2/c19-10-6-7-12-11(8-10)13(16(24)20-12)14-17(25)22(18(26)27-14)21-15(23)9-4-2-1-3-5-9/h1-8,25H,(H,21,23) |
| Molecular Weight | 460.3 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 460.300 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 458.935 Da |
| Monoisotopic Mass | 458.935 Da |
| Topological Polar Surface Area | 139.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 911.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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