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Auten-99 - ≥98% , CAS No.1049780-58-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
| Canonical Smiles | C1CN2C=C(SC2=N1)C3=CC=C(C=C3)C4=CC=CC=C4.Br |
|---|---|
| IUPAC Name | 2-(4-phenylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide |
| InChIKey | FYYVGPJPIJHFCL-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2S.BrH/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-12-19-11-10-18-17(19)20-16;/h1-9,12H,10-11H2;1H |
| Isomeric SMILES | C1CN2C=C(SC2=N1)C3=CC=C(C=C3)C4=CC=CC=C4.Br |
| PubChem CID | 16240819 |
| Molecular Weight | 359.3 |
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 | 359.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 358.014 Da |
| Monoisotopic Mass | 358.014 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 415.000 |
| 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 | 2 |
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