ST50950387 , CAS No.105577-48-8

CAS: 105577-48-8 Cat. No.: S1280160 Formula: C₁₅H₂₀N₂O₃S Peso molecolare: 308.4

Storage

Room temperature

Shipped In

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Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

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Nomi e identificatori

• Sorrisi canonici: CC1=CC=C(C=C1)S(=O)(=O)NNC2=CC(=O)CC(C2)(C)C
• IUPAC Name: N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonohydrazide
• InChIKey: OXTVCSQVSUCNGJ-UHFFFAOYSA-N
• INCHI: 1S/C15H20N2O3S/c1-11-4-6-14(7-5-11)21(19,20)17-16-12-8-13(18)10-15(2,3)9-12/h4-8,16-17H,9-10H2,1-3H3
• Peso molecolare: 308.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Cyclohexenones Sulfonohydrazides Hydrazinosulfonyl compounds Vinylogous amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Cyclohexenone - Toluene - Sulfonohydrazide - Hydrazinosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Ketone - Cyclic ketone - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 308.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 308.119 Da
• Monoisotopic Mass: 308.119 Da
• Topological Polar Surface Area: 83.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 524.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 105577-48-8, the molecular formula is C15H20N2O3S, and the molecular weight is 308.4 g/mol. InChIKey OXTVCSQVSUCNGJ-UHFFFAOYSA-N.

What documentation is provided?

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