Cyclopropyl phenyl sulfide - ≥99% , CAS No.14633-54-6

CAS: 14633-54-6 Cat. No.: C101828 Summenformel: C₃H₅SC₆H₅ Molekulargewicht: 150.24 EG-Nummer: 628-723-2

GRADE & PURITY ≥99%

Synonyms

(PHENYLTHIO)CYCLOPROPANE | Cyclopropyl(phenyl)sulfane | Cyclopropyl phenyl sulfide, 99% | cyclopropylphenylthioether | SCHEMBL102816 | Cyclopropylthiobenzene | (Cyclopropylsulfanyl)benzene | Cyclopropylphenylsulfide | Cyclopropyl-phenyl-sulfide | Benzene,

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Cyclopropyl phenyl sulfide was used as a reagent in the conversion of a ketone into a spirocyclobutanone.

Specifications

Synonyme

(PHENYLTHIO)CYCLOPROPANE | Cyclopropyl(phenyl)sulfane | Cyclopropyl phenyl sulfide, 99% | cyclopropylphenylthioether | SCHEMBL102816 | Cyclopropylthiobenzene | (Cyclopropylsulfanyl)benzene | Cyclopropylphenylsulfide | Cyclopropyl-phenyl-sulfide | Benzene,

Spezifikationen & Reinheit

≥99%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504756917

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756917

Kanonisches Lächeln

C1CC1SC2=CC=CC=C2

IUPAC Name

cyclopropylsulfanylbenzene

InChIKey

YIBKCPJOFAUAKY-UHFFFAOYSA-N

INCHI

1S/C9H10S/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9H,6-7H2

Isomere SMILES

C1CC1SC2=CC=CC=C2

WGK Deutschland

3

UN-Nummer

2810

Molekulargewicht

150.24

Reaxy-Rn

2075701

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2075701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.581
• Flammpunkt (°F): 197.6 °F
• Flammpunkt (°C): 92 °C
• Siedepunkt (°C): 62-63°C/1mmHg
• Molekulargewicht: 150.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.05 Da
• Monoisotopic Mass: 150.05 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14633-54-6, the molecular formula is C9H10S, and the molecular weight is 150.24 g/mol. InChIKey YIBKCPJOFAUAKY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.