Dibenzo[b,d]thiophene 5-oxide - ≥95% , CAS No.1013-23-6

CAS: 1013-23-6 Cat. No.: D302070 Peso molecular: 200.26

GRADE & PURITY ≥95%

Synonyms

CHEBI:23683 | Dibenzo[b,d]thiophene5-oxide | dibenzothiophene-S-oxide | AKOS005166936 | MLS003106738 | Q27109805 | NSC 170577 | dibenzothiophene oxide | NSC633010 | NSC-633010 | 83U | DTXSID5074422 | NSC170577 | NSC-170577 | SMR001821628 | Dibenzothiophen

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

CHEBI:23683 | Dibenzo[b, d]thiophene5-oxide | dibenzothiophene-S-oxide | AKOS005166936 | MLS003106738 | Q27109805 | NSC 170577 | dibenzothiophene oxide | NSC633010 | NSC-633010 | 83U | DTXSID5074422 | NSC170577 | NSC-170577 | SMR001821628 | Dibenzothiophen

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=CC=CC=C3S2=O
• IUPAC Name: dibenzothiophene 5-oxide
• InChIKey: NGDPCAMPVQYGCW-UHFFFAOYSA-N
• INCHI: 1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
• Isómeros SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2=O
• Peso molecular: 200.26
• Reaxy-Rn: 126504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126504&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: Dibenzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzothiophenes
• Alternative Parents: 1-benzothiophenes Thiophene sulfoxides Benzenoids Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiophene - 1-benzothiophene - Benzenoid - Thiophene sulfoxide - Heteroaromatic compound - Thiophene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzothiophenes. These are organic heterocyclic compounds with a structure containing a dibenzothiophene moiety, made up of two benzene rings fused to a central thiophene ring.
• External Descriptors: an organosulfur compound

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°C): 196.2°C
• Punto de ebullición (°C): 400.8°C at 760 mmHg
• Peso molecular: 200.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.03 Da
• Monoisotopic Mass: 200.03 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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. Zhisong Li, Linbo Wu.  (2024)  Poly(ether-ester)s synthesized from furandicarboxylic acid and ethylene glycol using an acidic binary catalyst.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.55522]