Bis(3-aminophenyl) Sulfone - ≥98% , CAS No.599-61-1

CAS: 599-61-1 Cat. No.: B152529 Peso molecular: 248.3 Número EC: 209-967-5

GRADE & PURITY ≥98%

Synonyms

UNII-YFY9Q1LQN9 | D76499 | Sulfone, bis(3-aminophenyl) | YFY9Q1LQN9 | AC-10821 | B0394 | InChI=1/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H | SMR000034089 | WLN: ZR CSWR CZ | Sulfone, bis(m-aminophenyl) | Aniline,3'-sulfonyld

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

UNII-YFY9Q1LQN9 | D76499 | Sulfone, bis(3-aminophenyl) | YFY9Q1LQN9 | AC-10821 | B0394 | InChI=1/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15, 16)12-6-2-4-10(14)8-12/h1-8H, 13-14H | SMR000034089 | WLN: ZR CSWR CZ | Sulfone, bis(m-aminophenyl) | Aniline, 3'-sulfonyld

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181418
• Sonrisas canónicas: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N
• IUPAC Name: 3-(3-aminophenyl)sulfonylaniline
• InChIKey: LJGHYPLBDBRCRZ-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2
• Isómeros SMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N
• RTECS: BY8800000
• Peso molecular: 248.3
• Reaxy-Rn: 2215938
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215938&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Aniline and substituted anilines Sulfones Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Aniline or substituted anilines - Sulfonyl - Sulfone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

Discover Target: UGT1A6

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

Objetivos asociados (no humanos)

Mycolicibacterium smegmatis (8003 Activities)

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

Plasmodium falciparum (966862 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de fusión (°C): 172 °C
• Peso molecular: 248.300 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.062 Da
• Monoisotopic Mass: 248.062 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 322.000
• 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

Referencias

1. Lidong Cao, Yaqing Wen, Xingzhong Fang, Guofei Chen.  (2023)  Synthesis of highly thermoplastic polyamide-imides with high transparency and low coefficient of thermal expansion.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.126093]

2. Gang Zhang, Jiangjun Hu, Huiwen Yang, Xiaojun Wang, Shengru Long, Jie Yang.  (2012)  Effects of thioether content on thermal and optical properties of polyamides.  POLYMER INTERNATIONAL,  61  (5): (800-809).  [PMID:] [10.1002/pi.4142]

3. Chuanjia Jiao, Jiayan Li, Caixia Wan, Jiawei Zou, Shifang Luan.  (2026)  Synergistic Regulation of Dual Monomers for Constructing High Bandgap and High Polarity Polyimide with High-Temperature Capacitive Energy Storage Performance.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA09731B]