Bromodimethylsulfonium bromide - ≥95% , CAS No.50450-21-0

CAS: 50450-21-0 Cat. No.: B467863 Molecular Weight: 221.94 EC Number: 629-036-0 PubChem CID: 11481441

GRADE & PURITY ≥95%

Synonyms

Dimethylsulfur dibromide | RGVBVVVFSXWUIM-UHFFFAOYSA-M | bromo(dimethyl)sulfanium;bromide | UNII-999D47ZFVO | bromodimethylsulfoniumbromide | D89000 | Bromodimethylsulfonium bromide, 95% | MFCD10000904 | B3311 | Bromodimethylsulfonium Bromide | Q27272189

Storage

Room temperature

Specifications

Synonyms

Dimethylsulfur dibromide | RGVBVVVFSXWUIM-UHFFFAOYSA-M | bromo(dimethyl)sulfanium;bromide | UNII-999D47ZFVO | bromodimethylsulfoniumbromide | D89000 | Bromodimethylsulfonium bromide, 95% | MFCD10000904 | B3311 | Bromodimethylsulfonium Bromide | Q27272189

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[S+](C)Br.[Br-]
• IUPAC Name: bromo(dimethyl)sulfanium;bromide
• InChIKey: RGVBVVVFSXWUIM-UHFFFAOYSA-M
• INCHI: 1S/C2H6BrS.BrH/c1-4(2)3;/h1-2H3;1H/q+1;/p-1
• Isomeric SMILES: C[S+](C)Br.[Br-]
• WGK Germany: 3
• PubChem CID: 11481441
• Molecular Weight: 221.94
• Reaxy-Rn: 4149752

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfur compounds
• Alternative Parents: Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organic bromide salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfur compounds. These are organic compounds containing a carbon-sulfur bond.
• 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

Chemical and Physical Properties

• Melt Point(°C): 82°C(lit.)
• Molecular Weight: 221.940 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.854 Da
• Monoisotopic Mass: 219.856 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.500
• 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: 2

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