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

CAS: 13678-67-6 Cat. No.: D102907 Molecular Weight: 194.25 Beilstein Registry Number: 17(5)3,355 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=COC(=C1)CSCC2=CC=CO2
• WGK Germany: 3
• Molecular Weight: 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
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive,heat sensitive
• Freezing Point(°C): 32 °C
• Refractive Index: 1.556
• Flash Point(°F): 113 °C
• Flash Point(°C): 113°C
• Boil Point(°C): 135-143°C
• Melt Point(°C): 29-34°C
• Molecular Weight: 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

References

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]