Dibenzothiophene(DBT) - ≥99% , CAS No.132-65-0

CAS: 132-65-0 Cat. No.: D106395 Summenformel: C₁₂H₈S Molekulargewicht: 184.26 Beilstein Registry Number: 121101 EG-Nummer: 205-072-9

GRADE & PURITY ≥99%

Synonyms

[1,1'-Biphenyl]-2,2'-diyl sulfide | BIDD:GT0331 | NCGC00094646-03 | alpha-Thiafluorene | Dibenzo[b,d]thiophene | 8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene | InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8 | SB66387 | STK367

Storage

Room temperature

Shipped In

Normal

Übersicht

Dibenzothiophene is an important representative of polycyclic aromatic hydrocarbons (PAHs). Kinetics of hydrodesulfurization of dibenzothiophene on presulflded molybdenaalumina catalyst has been studied in a high-pressure-flow microreactor.Biodesulfurization of dibenzothiophene by selective cleavage of carbon sulphur bonds by a thermophilic bacterium Bacillus subtilis WU-S2B has been reported

Specifications

Synonyme

[1,1'-Biphenyl]-2,2'-diyl sulfide | BIDD:GT0331 | NCGC00094646-03 | alpha-Thiafluorene | Dibenzo[b,d]thiophene | 8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene | InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8 | SB66387 | STK367

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488179734

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179734

Kanonisches Lächeln

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

IUPAC Name

dibenzothiophene

InChIKey

IYYZUPMFVPLQIF-UHFFFAOYSA-N

INCHI

1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

Isomere SMILES

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

WGK Deutschland

3

RTECS

HQ3490550

UN-Nummer

3077

Molekulargewicht

184.26

Beilstein

121101

Reaxy-Rn

121101

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121101&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: Dibenzothiophenes
• Alternative Parents: 1-benzothiophenes Benzenoids Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiophene - 1-benzothiophene - Benzenoid - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: 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

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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HT-22 (3261 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water. ；Solubility in hot Methanol almost transparency
• Flammpunkt (°F): 338.0 °F
• Flammpunkt (°C): 170℃
• Siedepunkt (°C): 332-333°C
• Schmelzpunkt (°C): 97-100°C
• Molekulargewicht: 184.260 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.035 Da
• Monoisotopic Mass: 184.035 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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