Difurfuryl sulfide - ≥98% , CAS No.13678-67-6

CAS: 13678-67-6 Cat. No.: D102907 Fórmula: C₁₀H₁₀O₂S Peso molecular: 194.25 Beilstein Registry Number: 17(5)3,355 Número CE: 237-172-3

GRADE & PURITY ≥98%

Synonyms

D3420 | 2,2'-(THIODIMETHYLENE)DIFURAN [FHFI] | 2,2'-(Thiodimethylene)difuran, >=98% | InChI=1/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H | MFCD00010081 | bis-Furfuryl sulfide | SCHEMBL140950 | Difurfurylsulfide | SB60943 | 2-{[(FURAN-2-YLMET

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

D3420 | 2,2'-(THIODIMETHYLENE)DIFURAN [FHFI] | 2,2'-(Thiodimethylene)difuran, >=98% | InChI=1/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H | MFCD00010081 | bis-Furfuryl sulfide | SCHEMBL140950 | Difurfurylsulfide | SB60943 | 2-{[(FURAN-2-YLMET

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508812273
• Sorrisos canónicos: C1=COC(=C1)CSCC2=CC=CO2
• IUPAC Name: 2-(furan-2-ylmethylsulfanylmethyl)furan
• InChIKey: UYLKDZXJEKFFHJ-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2
• SMILES isoméricas: C1=COC(=C1)CSCC2=CC=CO2
• WGK Alemanha: 3
• Peso molecular: 194.25
• Beilstein: 17(5)3,355
• Reaxy-Rn: 1371700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1371700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive,heat sensitive
• Ponto de congelamento (°C): 32 °C
• Índice de refração: 1.556
• Ponto de inflamação (°F): 113 °C
• Ponto de inflamação (°C): 113°C
• Ponto de ebulição (°C): 135-143°C
• Ponto de fusão (°C): 29-34°C
• Peso molecular: 194.250 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.04 Da
• Monoisotopic Mass: 194.04 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 136.000
• 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

Referências

1. Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36696632] [10.1021/acs.jafc.2c08360]