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| SKU | Size | Availability |
Price | Qty |
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Z304848-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$461.90
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| Synonyms | zaltoprofen | 74711-43-6 | 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid | 89482-00-8 | Soleton | CN-100 | Soreton | Peon | Zaltoprofen [INN] | CN 100 | 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic Acid | CN100 | 10,11-Dihydro-alpha-methyl-10-oxodib |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Room temperature,Desiccated |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiepins |
| Subclass | Dibenzothiepins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiepins |
| Alternative Parents | Diarylthioethers Aryl alkyl ketones Vinylogous thioesters Benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiepin - Diarylthioether - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Benzenoid - Vinylogous thioester - Ketone - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring. |
| External Descriptors | Not available |
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| IUPAC Name | 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid |
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| INCHI | InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20) |
| InChIKey | MUXFZBHBYYYLTH-UHFFFAOYSA-N |
| Smiles | CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O |
| Isomeric SMILES | CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O |
| PubChem CID | 5720 |
| Molecular Weight | 298.36 |
| Melt Point(°C) | 129-131ºC |
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| Molecular Weight | 298.400 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 298.066 Da |
| Monoisotopic Mass | 298.066 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 422.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |