Allyl Propyl Disulfide - ≥90% , CAS No.2179-59-1

CAS: 2179-59-1 Cat. No.: A103096 Peso molecular: 148.29 Beilstein Registry Number: 1(4)2098 Número EC: 218-550-7

GRADE & PURITY ≥90%

Synonyms

Q4348232 | BRN 1744005 | MFCD00040072 | A815667 | ALLYL PROPYL DISULFIDE [FHFI] | AllylPropylDisulfide | allyl-propyl-disulfide | Propyl 2-propenyl disulfide | Disulfide, 2-propenyl propyl | AKOS006344180 | Tox21_202612 | FEMA NO. 4073 | HSDB 2519 | NCGC0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Q4348232 | BRN 1744005 | MFCD00040072 | A815667 | ALLYL PROPYL DISULFIDE [FHFI] | AllylPropylDisulfide | allyl-propyl-disulfide | Propyl 2-propenyl disulfide | Disulfide, 2-propenyl propyl | AKOS006344180 | Tox21_202612 | FEMA NO. 4073 | HSDB 2519 | NCGC0

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488182267
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182267
• Sonrisas canónicas: CCCSSCC=C
• IUPAC Name: 1-(prop-2-enyldisulfanyl)propane
• InChIKey: FCSSPCOFDUKHPV-UHFFFAOYSA-N
• INCHI: 1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
• Isómeros SMILES: CCCSSCC=C
• RTECS: JO0350000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 148.29
• Beilstein: 1(4)2098
• Reaxy-Rn: 1744005
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744005&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: 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

• Solubilidad: Insoluble in water
• Sensibilidad: air & heat sensitive
• Índice de refracción: 1.52
• Punto de inflamación (°F): 56 °C
• Punto de inflamación (°C): 56°C
• Punto de ebullición (°C): 69°C
• Peso molecular: 148.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 148.038 Da
• Monoisotopic Mass: 148.038 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 52.500
• 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. Jianan Song, Guangxing Huang, Feng Wei, Jiajia Meng, Kan Zhang.  (2024)  High-Performance Flexible Strain Sensors: The Role of In-Situ Cross-Linking and Interface Engineering in Liquid Metal–Carbon Nanotube-PDMS Composites.  ACS Applied Materials & Interfaces,      [PMID:39704192] [10.1021/acsami.4c17983]