Furfuryl Methyl Disulfide - ≥98% , CAS No.57500-00-2

CAS: 57500-00-2 Cat. No.: F103101 Molecular Weight: 160.26 Beilstein Registry Number: 17(5)3,355 EC Number: 260-773-7

GRADE & PURITY ≥98%

Synonyms

Furfuryl methyl disulfide | AKOS015899706 | 2-[(Methyldisulfanyl)methyl]furan | EINECS 260-773-7 | FEMA No. 3362 | FT-0628732 | C6H8OS2 | DTXSID9069186 | UNII-1V1X0TA603 | CLSLQQCDHOZMDT-UHFFFAOYSA-N | (2-Furanylmethyl) methyl disulfide | SCHEMBL145300 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Furfuryl methyl disulfide | AKOS015899706 | 2-[(Methyldisulfanyl)methyl]furan | EINECS 260-773-7 | FEMA No. 3362 | FT-0628732 | C6H8OS2 | DTXSID9069186 | UNII-1V1X0TA603 | CLSLQQCDHOZMDT-UHFFFAOYSA-N | (2-Furanylmethyl) methyl disulfide | SCHEMBL145300 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183553
• Canonical Smiles: CSSCC1=CC=CO1
• IUPAC Name: 2-[(methyldisulfanyl)methyl]furan
• InChIKey: CLSLQQCDHOZMDT-UHFFFAOYSA-N
• INCHI: 1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3
• Isomeric SMILES: CSSCC1=CC=CO1
• WGK Germany: 3
• Molecular Weight: 160.26
• Beilstein: 17(5)3,355
• Reaxy-Rn: 1363642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363642&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 Dialkyldisulfides Sulfenyl compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Dialkyldisulfide - Organic disulfide - Oxacycle - Sulfenyl compound - 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
• Refractive Index: 1.568
• Flash Point(°C): 90°C
• Boil Point(°C): 61 °C/0.8 mmHg
• Molecular Weight: 160.300 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 160.002 Da
• Monoisotopic Mass: 160.002 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.500
• 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. Shuge Yuan, Yahui Liu, Jinglin Yu, Ping Yang, Wei Yong, Zongxu Zhao, Tianyang Guo, Huanlu Song.  (2025)  Molecular sensory insights into odor activity and formation pathway of volatile compounds across roasting degrees in coffee beans.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107712]