(Pentylsulfanyl)methanimidamide hydrobromide , CAS No.4270-00-2

CAS: 4270-00-2 Cat. No.: P1225677 Formula: C₆H₁₅BrN₂S Peso molecolare: 227.17

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

CCCCCSC(=N)N.Br

IUPAC Name

pentyl carbamimidothioate;hydrobromide

InChIKey

JTEBEBGEFYAPTQ-UHFFFAOYSA-N

INCHI

1S/C6H14N2S.BrH/c1-2-3-4-5-9-6(7)8;/h2-5H2,1H3,(H3,7,8);1H

Peso molecolare

227.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Isothioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Isothioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isothioureas
• Alternative Parents: Sulfenyl compounds Carboximidamides Imines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Imine - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 227.170 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 226.014 Da
• Monoisotopic Mass: 226.014 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 83.100
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 4270-00-2, the molecular formula is C6H15BrN2S, and the molecular weight is 227.17 g/mol. InChIKey JTEBEBGEFYAPTQ-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.