Dibenzothiophene sulfone - ≥97% , CAS No.1016-05-3

CAS: 1016-05-3 Cat. No.: D101955 Summenformel: C₁₂H₈O₂S Molekulargewicht: 216.26 EG-Nummer: 213-805-9

GRADE & PURITY ≥97%

Synonyms

Dibenzothiophene dioxide | SCHEMBL29481 | FT-0655578 | dibenzothiophenesulfone | Dibenzo[b,d]thiophene 5,5-dioxide # | dibenzo[b,d]thiophene, 5,5-dioxide | Dibenzo-[b,d]thiophene 5,5-dioxide | Dibenzo[b,d]thiophene 5,5-dioxide | Dibenzothiophene sulfone,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Dibenzothiophene dioxide | SCHEMBL29481 | FT-0655578 | dibenzothiophenesulfone | Dibenzo[b,d]thiophene 5,5-dioxide # | dibenzo[b,d]thiophene, 5,5-dioxide | Dibenzo-[b,d]thiophene 5,5-dioxide | Dibenzo[b,d]thiophene 5,5-dioxide | Dibenzothiophene sulfone,

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504752508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752508

Kanonisches Lächeln

C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O

IUPAC Name

dibenzothiophene 5,5-dioxide

InChIKey

IKJFYINYNJYDTA-UHFFFAOYSA-N

INCHI

1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H

Isomere SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O

WGK Deutschland

3

Molekulargewicht

216.26

Reaxy-Rn

146515

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiophenes
      • Subclass Dibenzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiophenes
• Subclass: Dibenzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzothiophene-5,5-dioxides
• Alternative Parents: Benzenoids Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiophene-5,5-dioxide - Benzenoid - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dibenzothiophene-5,5-dioxides. These are organic aromatic compounds containing a dibenzothiophene disubstituted at the 5-position with two dioxide groups.
• External Descriptors: a 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 231-233°C
• Molekulargewicht: 216.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.025 Da
• Monoisotopic Mass: 216.025 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• 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

Häufig gestellte Fragen

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 1016-05-3, the molecular formula is C12H8O2S, and the molecular weight is 216.26 g/mol. InChIKey IKJFYINYNJYDTA-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.