PiB - Moligand™, ≥95% , CAS No.566169-93-5

CAS: 566169-93-5 Cat. No.: M589504 Formule: C₁₄H₁₂N₂OS Poids moléculaire: 256.32

QUALITÉ & PURETÉ Moligand™, ≥95%

Synonyms

2-(4'-methylaminophenyl)-6-hydroxybenzothiazole | 2-[4-(Methylamino)phenyl]benzo[d]thiazol-6-ol | [3H]2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol | BDBM50129793

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

2-(4'-methylaminophenyl)-6-hydroxybenzothiazole | 2-[4-(Methylamino)phenyl]benzo[d]thiazol-6-ol | [3H]2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol | BDBM50129793

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528766759

Sourires canoniques

CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O

IUPAC Name

2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol

InChIKey

ZQAQXZBSGZUUNL-UHFFFAOYSA-N

INCHI

1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3

Isomères SMILES

CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O

Poids moléculaire

256.32

Reaxy-Rn

9488986

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9488986&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - 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

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 256.320 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.067 Da
• Monoisotopic Mass: 256.067 Da
• Topological Polar Surface Area: 73.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 281.000
• 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