2,8-Dimethyldibenzothiophene - ≥97% , CAS No.1207-15-4

CAS: 1207-15-4 Cat. No.: D155540 Summenformel: C₁₄H₁₂S Molekulargewicht: 212.31 Beilstein Registry Number: 17(5)2,278

GRADE & PURITY ≥97%

Synonyms

2,8-Dimethyldibenzothiophene | D90015 | A804569 | RRYWCJRYULRSJM-UHFFFAOYSA-N | AS-61383 | 4,12-DIMETHYL-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE | DTXSID80880786 | Dibenzothiophene,2,8-dimethyl- | Dibenzothiophene, dimethyl- | MFCD

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,8-Dimethyldibenzothiophene | D90015 | A804569 | RRYWCJRYULRSJM-UHFFFAOYSA-N | AS-61383 | 4,12-DIMETHYL-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE | DTXSID80880786 | Dibenzothiophene,2,8-dimethyl- | Dibenzothiophene, dimethyl- | MFCD

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)C
• IUPAC Name: 2,8-dimethyldibenzothiophene
• InChIKey: RRYWCJRYULRSJM-UHFFFAOYSA-N
• INCHI: 1S/C14H12S/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-8H,1-2H3
• Isomere SMILES: CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)C
• Molekulargewicht: 212.31
• Beilstein: 17(5)2,278
• Reaxy-Rn: 146308
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146308&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: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 120 °C
• Molekulargewicht: 212.310 g/mol
• XLogP3: 5.100
• 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

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 1207-15-4, the molecular formula is C14H12S, and the molecular weight is 212.31 g/mol. InChIKey RRYWCJRYULRSJM-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.