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

CAS: 3545-42-4 Cat. No.: D1006301 Summenformel: C₁₃H₂₉BrN₂S Molekulargewicht: 325.350 EG-Nummer: 964-510-3

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Molekulargewicht: 325.350

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Isothioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.