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

CAS: 10152-76-8 Cat. No.: A101060 Formula: C₄H₈S Peso molecolare: 88.17 Beilstein Registry Number: 1(4)2095 Numero EC: 233-422-0

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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 Mostra altro

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

528773139

Pubchem Sid Url

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

Sorrisi canonici

CSCC=C

IUPAC Name

3-methylsulfanylprop-1-ene

InChIKey

NVLPQIPTCCLBEU-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CSCC=C

WGK Germania

3

RTECS

UD1015000

Numero UN

1993

Gruppo di imballaggio

II

Peso molecolare

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
    • Classe Allyl sulfur compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.47
• Punto di infiammabilità (°F): 64.4 °F
• Punto di infiammabilità (°C): 18 °C
• Punto di ebollizione (°C): 92°C
• Peso molecolare: 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