4,6-Dimethyldibenzothiophene - ≥97% , CAS No.1207-12-1

CAS: 1207-12-1 Cat. No.: D111072 Formula: C₁₄H₁₂S Peso molecolare: 212.31 Numero EC: 214-894-7

GRADE & PURITY ≥97%

Synonyms

J-004384 | MFCD00216264 | AC-28056 | 4,6-Dimethyldibenzo[b]thiophene | 4,6-Dimethyldibenzothiophene, 97% | AM84354 | DS-14523 | SCHEMBL142551 | 4,6-dimethyldibenzo[b,d]thiophene | 4,6-Dimethyldibenzothiophene | AKOS015842630 | BIDD:GT0307 | FT-0617268 | A

Storage

Room temperature

Shipped In

Normal

Panoramica

Product Describtion:

4,6-Dimethyldibenzothiophene (4,6-DMDBT), a high refractory sulfur compound, is commonly found in diesel fuel. Its synthesis has been reported. The hydrodesulfurization of 4,6-DMDBT using bulk nickel alloy, bulk tungsten phosphide (WP), NiMo sulfide supported on active carbons and molecularly imprinted polymers have been reported. The dielectric behavior of 4,6-DMDBT under different microwave frequencies and temperature has been investigated.

Product Application:

4,6-Dimethyldibenzothiophene is used in petroleum desulfurization studies.

Specifications

Sinonimi

J-004384 | MFCD00216264 | AC-28056 | 4,6-Dimethyldibenzo[b]thiophene | 4,6-Dimethyldibenzothiophene, 97% | AM84354 | DS-14523 | SCHEMBL142551 | 4,6-dimethyldibenzo[b,d]thiophene | 4,6-Dimethyldibenzothiophene | AKOS015842630 | BIDD:GT0307 | FT-0617268 | A

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488191771

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191771

Sorrisi canonici

CC1=C2C(=CC=C1)C3=CC=CC(=C3S2)C

IUPAC Name

4,6-dimethyldibenzothiophene

InChIKey

MYAQZIAVOLKEGW-UHFFFAOYSA-N

INCHI

1S/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3

Isomeri SMILES

CC1=C2C(=CC=C1)C3=CC=CC(=C3S2)C

WGK Germania

3

Peso molecolare

212.31

Reaxy-Rn

8032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8032&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: Not available

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 153-157 °C
• Peso molecolare: 212.310 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 212.066 Da
• Monoisotopic Mass: 212.066 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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

Domande frequenti

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 1207-12-1, the molecular formula is C14H12S, and the molecular weight is 212.31 g/mol. InChIKey MYAQZIAVOLKEGW-UHFFFAOYSA-N.

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.

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.