Metil disulfuro de alilo - ≥90% , CAS No.2179-58-0

CAS: 2179-58-0 Cat. No.: M103119 Peso molecular: 120.24 Número EC: 218-549-1

GRADE & PURITY ≥90%

Synonyms

CHEBI:6854 | D88486 | DISULFIDE, METHYL-2-PROPENYL | 3-(Methyldisulfanyl)-1-propene | DTXSID60176199 | FEMA 3127 | SCHEMBL548935 | ALLYL METHYL DISULFIDE [FHFI] | ALLYL METHYL DISULFIDE | 3-(Methyldisulfanyl)-1-propene # | ALLYLMETHYLDISULFIDE | Methyl 2-

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

CHEBI:6854 | D88486 | DISULFIDE, METHYL-2-PROPENYL | 3-(Methyldisulfanyl)-1-propene | DTXSID60176199 | FEMA 3127 | SCHEMBL548935 | ALLYL METHYL DISULFIDE [FHFI] | ALLYL METHYL DISULFIDE | 3-(Methyldisulfanyl)-1-propene # | ALLYLMETHYLDISULFIDE | Methyl 2-

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CSSCC=C
• IUPAC Name: 3-(methyldisulfanyl)prop-1-ene
• InChIKey: XNZOTQPMYMCTBZ-UHFFFAOYSA-N
• INCHI: 1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
• Isómeros SMILES: CSSCC=C
• Número ONU: 1993
• Peso molecular: 120.24
• Reaxy-Rn: 2070522
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2070522&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Allyl sulfur compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Allyl sulfur compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Allyl sulfur compounds
• Alternative Parents: Dialkyldisulfides Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Allyl sulfur compound - Dialkyldisulfide - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as allyl sulfur compounds. These are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS.
• External Descriptors: organic disulfide

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

• Sensibilidad: Air sensitive;Heat sensitive;Light sensitive
• Índice de refracción: 1.53
• Punto de inflamación (°F): 35°C(lit.)
• Punto de inflamación (°C): 35°C(lit.)
• Peso molecular: 120.200 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 120.007 Da
• Monoisotopic Mass: 120.007 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.500
• 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

Referencias

1. Meina Jin, Xiaoyue Lun, Wei Mu, Yunhe Zhao, Zhengqun Zhang.  (2026)  Functional Characterization of Three Odorant-Binding Proteins in Sex Pheromones and Host Plant Volatiles Detection in Bradysia odoriphaga.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41619224] [10.1021/acs.jafc.5c12660]