Bis(2-methyl-3-furyl)disulfide - 10mM in DMSO , CAS No.28588-75-2

CAS: 28588-75-2 Cat. No.: B422996 Peso molecular: 226.32 Número EC: 249-095-2

GRADE & PURITY 10mM in DMSO

Synonyms

1,2-bis(2-methylfuran-3-yl)disulfane | Bis(2-Methyl-3-furyl) disulfide, 98%, FG | Tox21_302589 | 2-methyl-3-[(2-methyl-3-furanyl)disulfanyl]furan | BIS(2-METHYL-3-FURYL) DISULFIDE [FHFI] | SB60953 | 2-Methyl-3-furyl disulfide | Bis-(2-methyl-3-furyl)-disu

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

1, 2-bis(2-methylfuran-3-yl)disulfane | Bis(2-Methyl-3-furyl) disulfide, 98%, FG | Tox21_302589 | 2-methyl-3-[(2-methyl-3-furanyl)disulfanyl]furan | BIS(2-METHYL-3-FURYL) DISULFIDE [FHFI] | SB60953 | 2-Methyl-3-furyl disulfide | Bis-(2-methyl-3-furyl)-disu

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CO1)SSC2=C(OC=C2)C
• IUPAC Name: 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
• InChIKey: OHDFENKFSKIFBJ-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
• Isómeros SMILES: CC1=C(C=CO1)SSC2=C(OC=C2)C
• WGK Alemania: 3
• Peso molecular: 226.32
• Reaxy-Rn: 6596570
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6596570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Organic disulfides Sulfenyl compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Organic disulfide - Oxacycle - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.576
• Punto de inflamación (°F): 110 °C
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 280°C
• Peso molecular: 226.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 226.012 Da
• Monoisotopic Mass: 226.012 Da
• Topological Polar Surface Area: 76.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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

Referencias

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]

2. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Competitive Formation of 2,3-Butanedione and Pyrazines through Intervention of Added Cysteine during Thermal Processing of Alanine-Xylose Amadori Compounds.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36444759] [10.1021/acs.jafc.2c07026]