Isothiuronium , CAS No.22584-04-9

CAS: 22584-04-9 Cat. No.: I983511 分子式: C₁₂H₂₅IN₂S 分子量: 356.310 EC番号: EINECS245-108-0

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

保管条件

Store at 2-8°C,Protected from light,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

名前と識別子

• カノニカル・スマイル: C=CCCCCCCCCCSC(=N)N.I
• IUPAC Name: undec-10-enyl carbamimidothioate;hydroiodide
• InChIKey: INDZTCRIYSRWOH-UHFFFAOYSA-N
• INCHI: 1S/C12H24N2S.HI/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14;/h2H,1,3-11H2,(H3,13,14);1H
• 分子量: 356.310

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 分類 Isothioureas

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

化学的性質と物理的性質

• 分子量: 356.310 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 356.078 Da
• Monoisotopic Mass: 356.078 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 169.000
• 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

よくある質問

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 22584-04-9, the molecular formula is C12H25IN2S, and the molecular weight is 356.310 g/mol. InChIKey INDZTCRIYSRWOH-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.