3-(Dimethylamino)propanethioamide - ≥95% , CAS No.724691-88-7

CAS: 724691-88-7 Cat. No.: D1003467 Summenformel: C₅H₁₂N₂S Molekulargewicht: 132.230

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CN(C)CCC(=S)N
• IUPAC Name: 3-(dimethylamino)propanethioamide
• InChIKey: APWATHHHOCAOLI-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2S/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
• Molekulargewicht: 132.230

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Trialkylamines Thiocarboxylic acid amides Thiocarbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Tertiary aliphatic amine - Tertiary amine - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 132.230 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 132.072 Da
• Monoisotopic Mass: 132.072 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.500
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 724691-88-7, the molecular formula is C5H12N2S, and the molecular weight is 132.230 g/mol. InChIKey APWATHHHOCAOLI-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.