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3-(5-(1-Methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid , CAS No.306322-09-8
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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 | CN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O)C1=O |
|---|---|
| IUPAC Name | 3-[(5E)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid |
| InChIKey | FHKMURRRZLRQLF-CCEZHUSRSA-N |
| INCHI | 1S/C19H12N2O4S2/c1-20-13-8-3-2-7-12(13)14(16(20)22)15-17(23)21(19(26)27-15)11-6-4-5-10(9-11)18(24)25/h2-9H,1H3,(H,24,25)/b15-14+ |
| PubChem CID | 1585259 |
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 | 396.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 396.024 Da |
| Monoisotopic Mass | 396.024 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 750.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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