N1,N2-Didodecylethanebis(thioamide) - ≥97% , CAS No.120-88-7

CAS: 120-88-7 Cat. No.: N708443 Formula: C₂₆H₅₂N₂S₂ Peso molecolare: 456.83 Numero EC: 204-433-8

QUALITÀ & PUREZZA ≥97%

Synonyms

N,N'-Didodecyl dithiooxamide

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifiche

Sinonimi

N,N'-Didodecyl dithiooxamide

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC

IUPAC Name

N,N'-didodecylethanedithioamide

InChIKey

MQCQUDOKUAAVFO-UHFFFAOYSA-N

INCHI

1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)

Isomeri SMILES

CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC

CAS alternativo

120-88-7

Numero NSC

44699

Peso molecolare

456.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• 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: 456.800 g/mol
• XLogP3: 11.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 456.357 Da
• Monoisotopic Mass: 456.357 Da
• Topological Polar Surface Area: 88.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 349.000
• 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: 1