2-(4-Morpholinyl)benzothiazole - ≥90% , CAS No.4225-26-7

CAS: 4225-26-7 Cat. No.: M1071109 Summenformel: C₁₁H₁₂N₂OS Molekulargewicht: 220.29 EG-Nummer: 874-749-4 PubChem CID: 77901

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Reinheit

≥90%

Namen und Kennungen

• Kanonisches Lächeln: C1COCCN1C2=NC3=CC=CC=C3S2
• IUPAC Name: 4-(1,3-benzothiazol-2-yl)morpholine
• InChIKey: VVUVJGRVEYHIHC-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2
• Isomere SMILES: C1COCCN1C2=NC3=CC=CC=C3S2
• PubChem CID: 77901
• Molekulargewicht: 220.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Dialkylarylamines Morpholines Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Dialkylarylamine - Morpholine - Oxazinane - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Azacycle - Dialkyl ether - Ether - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 220.290 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.067 Da
• Monoisotopic Mass: 220.067 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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