Ciclohexanona p-Toluenosulfonilhidrazona - ≥98% , CAS No.4545-18-0

CAS: 4545-18-0 Cat. No.: C153712 Fórmula: C₁₃H₁₈N₂O₂S Peso molecular: 266.36 Beilstein Registry Number: 11(4)470 Número EC: 678-364-0

CALIDAD & PUREZA ≥98%

Synonyms

MFCD00161064 | DTXSID10288458 | Cyclohexanone Tosylhydrazone | AMY981 | NSC132029 | NSC-132029 | N-(cyclohexylideneamino)-4-methylbenzenesulfonamide | NCIOpen2_001944 | CYCLOHEXANONE (P-TOSYL)HYDRAZONE | AS-68413 | A872380 | Cyclohexanone p-Toluenesulfony

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

MFCD00161064 | DTXSID10288458 | Cyclohexanone Tosylhydrazone | AMY981 | NSC132029 | NSC-132029 | N-(cyclohexylideneamino)-4-methylbenzenesulfonamide | NCIOpen2_001944 | CYCLOHEXANONE (P-TOSYL)HYDRAZONE | AS-68413 | A872380 | Cyclohexanone p-Toluenesulfony

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504758071

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758071

Sonrisas canónicas

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2

IUPAC Name

N-(cyclohexylideneamino)-4-methylbenzenesulfonamide

InChIKey

WMCVYCATQIGYIO-UHFFFAOYSA-N

INCHI

1S/C13H18N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h7-10,15H,2-6H2,1H3

Isómeros SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2

Peso molecular

266.36

Beilstein

11(4)470

Reaxy-Rn

1979540

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1979540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonohydrazides Hydrazinosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Hydrazinosulfonyl compound - Sulfonohydrazide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Peso molecular: 266.360 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.109 Da
• Monoisotopic Mass: 266.109 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 382.000
• 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