2-Cyanothioacetamide - ≥98% , CAS No.7357-70-2

CAS: 7357-70-2 Cat. No.: C186324 Summenformel: C₃H₄N₂S Molekulargewicht: 100.1 EG-Nummer: 615-994-7

GRADE & PURITY ≥98%

Synonyms

cyanoacetothioamide | 2-Cyanothioactamide | Cyanothioacetamide | F3308-0295 | MFCD00010025 | Cyanothioacetamide;Ethanethioamide, 2-cyano- | BB 0262965 | 2-Cyanoethanethioamide | 2-cyano-ethanethioamide | BCP32414 | STR02955 | NSC53405 | NSC-53405 | 2-Cyan

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

Product Application:

2-Cyanothioacetamide was used in the synthesis of 3,4-trans-4-aryl-3-(1-pyridinio)-1,2,3,4-tetrahydropyridine-6-thiolates and bis[6-(2-aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile]. It was also used as a building block for 2-pyridothiones.

Specifications

Synonyme

cyanoacetothioamide | 2-Cyanothioactamide | Cyanothioacetamide | F3308-0295 | MFCD00010025 | Cyanothioacetamide;Ethanethioamide, 2-cyano- | BB 0262965 | 2-Cyanoethanethioamide | 2-cyano-ethanethioamide | BCP32414 | STR02955 | NSC53405 | NSC-53405 | 2-Cyan

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488191825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191825
• Kanonisches Lächeln: C(C#N)C(=S)N
• IUPAC Name: 2-cyanoethanethioamide
• InChIKey: BHPYMZQTCPRLNR-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)
• Isomere SMILES: C(C#N)C(=S)N
• WGK Deutschland: 3
• Molekulargewicht: 100.1
• Reaxy-Rn: 1699934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699934&ln=

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: Thiocarboxylic acid amides Nitriles Thiocarbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - 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

• Löslichkeit: Does not mix well with water.
• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 118-120 °C (lit.)
• Molekulargewicht: 100.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.01 Da
• Monoisotopic Mass: 100.01 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 98.600
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 7357-70-2, the molecular formula is C3H4N2S, and the molecular weight is 100.1 g/mol. InChIKey BHPYMZQTCPRLNR-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.