Dithizone - AR , CAS No.60-10-6

CAS: 60-10-6 Cat. No.: D108724 Formule: C₁₃H₁₂N₄S Poids moléculaire: 256.33 Beilstein Registry Number: 748838 Numéro CE: 200-454-1

GRADE & PURITY AR

Synonyms

Diphenylthiocarbazone | 1,5-Diphenylthiocarbazone | Ditizon | Dithizone E-form | 1-anilino-3-phenyliminothiourea | Dithizon | USAF EK-3092 | Carbazone, diphenylthio- | Diazenecarbothioic acid, phenyl-, 2-phenylhydrazide

Storage

Protected from light,Room temperature

Shipped In

Normal

Vue d’ensemble

Dithizone can be used as a titrant in the quantitative determination of heavy metals.
A titrant in the quantitative determination of heavy metals

Specifications

Synonymes

Diphenylthiocarbazone | 1,5-Diphenylthiocarbazone | Ditizon | Dithizone E-form | 1-anilino-3-phenyliminothiourea | Dithizon | USAF EK-3092 | Carbazone, diphenylthio- | Diazenecarbothioic acid, phenyl-, 2-phenylhydrazide

Spécifications et pureté

AR

Application

Dithizone may be used for the following purposes: As an extracting agent for the extraction of copper in kerosene. Alteration of graphene oxide nano-sheet to improve its adsorption capacity. Preparation of magnetite nanoparticles/silicon dioxide-dithizone

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Grade

AR

Noms et identifiants

Pubchem Sid

508816904

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816904

Sourires canoniques

C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2

IUPAC Name

1-anilino-3-phenyliminothiourea

InChIKey

UOFGSWVZMUXXIY-UHFFFAOYSA-N

INCHI

1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)

Isomères SMILES

C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2

WGK Allemagne

3

RTECS

LQ9450000

Poids moléculaire

256.33

Beilstein

748838

Reaxy-Rn

748838

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=748838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Azo compounds Propargyl-type 1,3-dipolar organic compounds Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• External Descriptors: a small molecule

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

• Solubilité: Soluble in ethanol (30 mg/ml), chloroform, DMSO, and pyridine (10 mg/ml). Insoluble in water
• Sensibilité: Light sensitive.
• Point de fusion (°C): 168°C
• Poids moléculaire: 256.329 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.078 Da
• Monoisotopic Mass: 256.078 Da
• Topological Polar Surface Area: 80.900 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