Azintamide - ≥95% , CAS No.1830-32-6

CAS: 1830-32-6 Cat. No.: A1067090 Numéro CE: 217-384-2 PubChem CID: 71105

QUALITÉ & PURETÉ ≥95%

Storage

Room temperature

Spécifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Type d'action

MODULATOR

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CCN(CC)C(=O)CSC1=NN=C(C=C1)Cl

IUPAC Name

2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide

InChIKey

SSLKKMZJCJBOML-UHFFFAOYSA-N

INCHI

1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3

Isomères SMILES

CCN(CC)C(=O)CSC1=NN=C(C=C1)Cl

CAS alternatif

1830-32-6

PubChem CID

71105

Numéro NSC

291837

Termes d'entrée MeSH

2-((6-chloro-3-pyridazinyl)thio)-N,N-diethylacetamide;azintamid;azintamide;oragallin

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Alkylarylthioethers Pyridazines and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 259.760 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 259.055 Da
• Monoisotopic Mass: 259.055 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• 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