≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
Organocatalyst for the kinetic resolution of secondary alcohols by acylation with anhydrides.
| Canonical Smiles | C1CN2C3=CC=CC=C3SC2=NC1C4=CC=CC=C4 |
|---|---|
| IUPAC Name | (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole |
| InChIKey | ZMYZJAQMQBHNLH-ZDUSSCGKSA-N |
| INCHI | 1S/C16H14N2S/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m0/s1 |
| Isomeric SMILES | C1CN2C3=CC=CC=C3SC2=N[C@@H]1C4=CC=CC=C4 |
| PubChem CID | 24827682 |
| Molecular Weight | 266.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Aryl thioethers Hydropyrimidines Benzene and substituted derivatives Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Thiazole - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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 |
| Melt Point(°C) | 125 °C |
|---|---|
| Molecular Weight | 266.400 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 266.088 Da |
| Monoisotopic Mass | 266.088 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 362.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(2S)-2-Phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole - ≥95% CAS No(1015248-96-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/s/4/s467024.jpg)