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

CAS: 132-65-0 Cat. No.: D106395 Formula: C₁₂H₈S Peso molecolare: 184.26 Beilstein Registry Number: 121101 Numero EC: 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

Panoramica

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

Sinonimi

[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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488179734

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

HQ3490550

Numero UN

3077

Peso molecolare

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
    • Classe Benzothiophenes
      • Subclass Dibenzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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)

Discover Target: SLCO1B1

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

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Hdac6 Histone deacetylase 6 (222 Activities)

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HT-22 (3261 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water. ；Solubility in hot Methanol almost transparency
• Punto di infiammabilità (°F): 338.0 °F
• Punto di infiammabilità (°C): 170℃
• Punto di ebollizione (°C): 332-333°C
• Punto di fusione (°C): 97-100°C
• Peso molecolare: 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