Diphenyl sulfone (DPS) - analytical standard, ≥99.5% , CAS No.127-63-9

CAS: 127-63-9 Cat. No.: D109426 분자식: C₁₂H₁₀O₂S 분자량: 218.27 Beilstein Registry Number: 1910573 EC 번호: 204-853-1

GRADE & PURITY Analytical standard, ≥99.5%

Synonyms

DTXCID4021892 | MFCD00007548 | SCHEMBL30255 | 1,1'-Sulfonylbisbenzene | Difenylsulfon | 4-06-00-01490 (Beilstein Handbook Reference) | Diphenyl sulphone | AKOS005439508 | Phenyl sulphone | 1,1'-sulfonyldibenzene | Diphenyl sulfone, Vetec(TM) reagent grade

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXCID4021892 | MFCD00007548 | SCHEMBL30255 | 1,1'-Sulfonylbisbenzene | Difenylsulfon | 4-06-00-01490 (Beilstein Handbook Reference) | Diphenyl sulphone | AKOS005439508 | Phenyl sulphone | 1,1'-sulfonyldibenzene | Diphenyl sulfone, Vetec(TM) reagent grade

사양 및 순도

analytical standard, ≥99.5%

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

순수함

≥99.5%

이름과 식별자

Pubchem Sid

528769773

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769773

정식 스마일

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

IUPAC Name

benzenesulfonylbenzene

InChIKey

KZTYYGOKRVBIMI-UHFFFAOYSA-N

INCHI

1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

이성체 SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

WGK 독일

3

RTECS

SX2400000

분자량

218.27

Beilstein

1910573

Reaxy-Rn

1910573

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910573&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• 설명: 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: sulfone

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

관련 대상(인간)

HTR6 Tchem Serotonin 6 (5-HT6) receptor (9749 Activities)

Discover Target: HTR6

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°C): 184°C
• 끓는점(°C): 379°C
• 녹는점(°C): 125-129°C
• 분자량: 218.270 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.04 Da
• Monoisotopic Mass: 218.04 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 253.000
• 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