1-bromo-3-methanesulfonylpropane - ≥97% , CAS No.859940-73-1

CAS: 859940-73-1 Cat. No.: B493202 Summenformel: C₄H₉BrO₂S Molekulargewicht: 201.08 EG-Nummer: 816-072-9

GRADE & PURITY ≥97%

Synonyms

1-bromo-3-methanesulfonylpropane | 1-Bromo-3-methanesulfonyl-propane | BNECODFCHDCLDN-UHFFFAOYSA-N | SCHEMBL1118598 | A1-02634 | E78613 | AKOS010251466 | SB17656 | FT-0738173 | SY191290 | 1-bromo-3-(methylsulfonyl)propane | BS-12936 | MFCD12823573 | 1-bro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

1-bromo-3-methanesulfonylpropane | 1-Bromo-3-methanesulfonyl-propane | BNECODFCHDCLDN-UHFFFAOYSA-N | SCHEMBL1118598 | A1-02634 | E78613 | AKOS010251466 | SB17656 | FT-0738173 | SY191290 | 1-bromo-3-(methylsulfonyl)propane | BS-12936 | MFCD12823573 | 1-bro

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488201520
• Kanonisches Lächeln: CS(=O)(=O)CCCBr
• IUPAC Name: 1-bromo-3-methylsulfonylpropane
• InChIKey: BNECODFCHDCLDN-UHFFFAOYSA-N
• INCHI: 1S/C4H9BrO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
• Isomere SMILES: CS(=O)(=O)CCCBr
• Molekulargewicht: 201.08
• Reaxy-Rn: 1750183
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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

• Molekulargewicht: 201.080 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.951 Da
• Monoisotopic Mass: 199.951 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 133.000
• 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