Allyl methyl sulfide - ≥99% , CAS No.10152-76-8

CAS: 10152-76-8 Cat. No.: A101060 Summenformel: C₄H₈S Molekulargewicht: 88.17 Beilstein Registry Number: 1(4)2095 EG-Nummer: 233-422-0

QUALITÄT & REINHEIT ≥99%

Synonyms

3-(Methylthio)propene|3-(methylsulfanyl)prop-1-ene|Methyl 2-propenyl sulfide|3-(Methylsulfanyl)-1-propene|allyl(methyl)sulfane|3-methylthio-1-propene|Allyl methyl sulphide|Allyl methyl sulfide|Methyl allyl sulphide|3-methylsulfanylprop-1-ene|3-(methylthio)-1-propene|Methyl allyl sulfide|Methylallyl sulphide|1-Propene, 3-(methylthio)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

3-(Methylthio)propene | 3-(methylsulfanyl)prop-1-ene | Methyl 2-propenyl sulfide | 3-(Methylsulfanyl)-1-propene | allyl(methyl)sulfane | 3-methylthio-1-propene | Allyl methyl sulphide | Allyl methyl sulfide | Methyl allyl sulphide | 3-methylsulfanylprop-1-ene | 3-(methylthio)-1-propene | Methyl allyl sulfide | Methylallyl sulphide | 1-Pro Show more

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

528773139

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773139

Kanonisches Lächeln

CSCC=C

IUPAC Name

3-methylsulfanylprop-1-ene

InChIKey

NVLPQIPTCCLBEU-UHFFFAOYSA-N

INCHI

1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3

Isomere SMILES

CSCC=C

WGK Deutschland

3

RTECS

UD1015000

UN-Nummer

1993

Verpackungsgruppe

II

Molekulargewicht

88.17

Beilstein

1(4)2095

Reaxy-Rn

1735940

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735940&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Allyl sulfur compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Allyl sulfur compounds
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Allyl sulfur compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.47
• Flammpunkt (°F): 64.4 °F
• Flammpunkt (°C): 18 °C
• Siedepunkt (°C): 92°C
• Molekulargewicht: 88.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.0347 Da
• Monoisotopic Mass: 88.0347 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 24.800
• 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