4-(4-Bromophenylsulfonyl)morpholine - ≥97% , CAS No.834-67-3

CAS: 834-67-3 Cat. No.: B186821 Formule: C₁₀H₁₂BrNO₃S Poids moléculaire: 306.2 Numéro CE: 805-435-7

GRADE & PURITY ≥97%

Synonyms

4-((4-Bromophenyl)sulfonyl)morpholine | L-gamma-glutamyl-S-nitroso-L-cysteinylglycine | 4-(4-bromophenylsulfonyl)morpholine | 4-(4-bromophenyl)sulfonylmorpholine;4-Bromobenzenesulfonyl morpholine | 4-[(4-bromophenyl)sulfonyl]morpholine | NSC75610 | NSC-75

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-((4-Bromophenyl)sulfonyl)morpholine | L-gamma-glutamyl-S-nitroso-L-cysteinylglycine | 4-(4-bromophenylsulfonyl)morpholine | 4-(4-bromophenyl)sulfonylmorpholine;4-Bromobenzenesulfonyl morpholine | 4-[(4-bromophenyl)sulfonyl]morpholine | NSC75610 | NSC-75

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488189044

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189044

Sourires canoniques

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)Br

IUPAC Name

4-(4-bromophenyl)sulfonylmorpholine

InChIKey

JWJRLABLXQZFAR-UHFFFAOYSA-N

INCHI

1S/C10H12BrNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2

Isomères SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)Br

Poids moléculaire

306.2

Reaxy-Rn

226383

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=226383&ln=

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: Benzenesulfonyl compounds Bromobenzenes Organosulfonamides Morpholines Aryl bromides Sulfonyls Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organobromide - Organohalogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Cibles associées (non humaines)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 306.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 304.972 Da
• Monoisotopic Mass: 304.972 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 313.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 834-67-3, the molecular formula is C10H12BrNO3S, and the molecular weight is 306.2 g/mol. InChIKey JWJRLABLXQZFAR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.