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

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

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)C

Poids moléculaire

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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 120 °C
• Poids moléculaire: 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

Foire aux questions

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.