Salazodin , CAS No.22933-72-8

CAS: 22933-72-8 Cat. No.: S1068951 Molecular Weight: 429.41 PubChem CID: 65707

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
• IUPAC Name: 2-hydroxy-5-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]diazenyl]benzoic acid
• InChIKey: YFUATOCFMCWUEH-UHFFFAOYSA-N
• INCHI: 1S/C18H15N5O6S/c1-29-17-9-8-16(21-22-17)23-30(27,28)13-5-2-11(3-6-13)19-20-12-4-7-15(24)14(10-12)18(25)26/h2-10,24H,1H3,(H,21,23)(H,25,26)
• Isomeric SMILES: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
• PubChem CID: 65707
• Molecular Weight: 429.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Salicylic acids Benzenesulfonamides Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyridazines and derivatives Organosulfonamides Imidolactams Vinylogous acids Aminosulfonyl compounds Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Azobenzene - Salicylic acid - Salicylic acid or derivatives - Benzenesulfonamide - Hydroxybenzoic acid - Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Imidolactam - Pyridazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azo compound - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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: 429.400 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 429.074 Da
• Monoisotopic Mass: 429.074 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 706.000
• 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