(Dodecylsulfanyl)methanimidamide hydrobromide - ≥97% , CAS No.3545-42-4

CAS: 3545-42-4 Cat. No.: D1006301 Fórmula: C₁₃H₂₉BrN₂S Peso molecular: 325.350 Número EC: 964-510-3

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCSC(=N)N.Br
• IUPAC Name: dodecyl carbamimidothioate;hydrobromide
• InChIKey: WFERTJGZWKWNMF-UHFFFAOYSA-N
• INCHI: 1S/C13H28N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H3,14,15);1H
• Peso molecular: 325.350

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Isothioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Isothioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isothioureas
• Alternative Parents: Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Imine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).
• 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

Propiedades químicas y físicas

• Peso molecular: 325.350 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 324.123 Da
• Monoisotopic Mass: 324.123 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 160.000
• 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: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 3545-42-4, the molecular formula is C13H29BrN2S, and the molecular weight is 325.350 g/mol. InChIKey WFERTJGZWKWNMF-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.