Azintamide - ≥95% , CAS No.1830-32-6

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

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Action Type

MODULATOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCN(CC)C(=O)CSC1=NN=C(C=C1)Cl
• Alternate CAS: 1830-32-6
• PubChem CID: 71105
• NSC Number: 291837
• MeSH Entry Terms: 2-((6-chloro-3-pyridazinyl)thio)-N,N-diethylacetamide;azintamid;azintamide;oragallin

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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

Chemical and Physical Properties

• Molecular Weight: 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