Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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B668106-25mg
|
25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$60.90
|
|
|
B668106-100mg
|
100mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$169.90
|
|
| Synonyms | 2-phenyl-1,2-benzothiazol-3-one | 1,2-Benzisothiazol-3(2H)-one, 2-phenyl- | 2-Phenylbenzo[d]isothiazol-3(2H)-one | 2-phenyl-1,2-benzisothiazol-3(2H)-one | PD086291 | 2-Phenyl-1,2-benzisothiazol-3-(2H)-one | MLS-0107957.0001 | PZ 25 | PZ-25 | MLS000537191 |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature,Argon charged |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-benzothiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
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| ALogP | 3 |
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| IUPAC Name | 2-phenyl-1,2-benzothiazol-3-one |
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| INCHI | InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H |
| InChIKey | KDMQSUUXKLZVNU-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2 |
| Isomeric SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2 |
| PubChem CID | 164981 |
| Molecular Weight | 227.28 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 18, 2024 | B668106 | |
| Certificate of Analysis | Oct 18, 2024 | B668106 | |
| Certificate of Analysis | Oct 18, 2024 | B668106 | |
| Certificate of Analysis | Oct 18, 2024 | B668106 |
| Molecular Weight | 227.280 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 227.04 Da |
| Monoisotopic Mass | 227.04 Da |
| Topological Polar Surface Area | 45.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| 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 |