Allyl Dimethyldithiocarbamate - ≥98% , CAS No.20821-66-3

CAS: 20821-66-3 Cat. No.: A151292 Formula: C₆H₁₁NS₂ Peso molecolare: 161.28 Numero EC: 678-105-1

GRADE & PURITY ≥98%

Synonyms

InChI=1/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3 | Carbamic acid, dimethyldithio-, allyl ester | FT-0693025 | DTXSID90292836 | S-Allyl-N,N-dimethyldithiocarbamate | N,N-DIMETHYL(PROP-2-EN-1-YLSULFANYL)CARBOTHIOAMIDE | AKOS015850781 | Allyl N,N-dimethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

InChI=1/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3 | Carbamic acid, dimethyldithio-, allyl ester | FT-0693025 | DTXSID90292836 | S-Allyl-N,N-dimethyldithiocarbamate | N,N-DIMETHYL(PROP-2-EN-1-YLSULFANYL)CARBOTHIOAMIDE | AKOS015850781 | Allyl N,N-dimethyl

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CN(C)C(=S)SCC=C
• IUPAC Name: prop-2-enyl N,N-dimethylcarbamodithioate
• InChIKey: ZFMLVJCASVPGIT-UHFFFAOYSA-N
• INCHI: 1S/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3
• Isomeri SMILES: CN(C)C(=S)SCC=C
• Peso molecolare: 161.28
• Reaxy-Rn: 1753057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753057&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Dithiocarbamic acids and derivatives
      • Subclass Dithiocarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Dithiocarbamic acids and derivatives
• Subclass: Dithiocarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithiocarbamic acid esters
• Alternative Parents: Allyl sulfur compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dithiocarbamic acid ester - Allyl sulfur compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dithiocarbamic acid esters. These are organosulfur compounds with the general formula R3SC(=S)N(R1)R2; R1-R2 = H or organyl group, R3 = organyl.
• 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

• Indice di rifrazione: 1.6
• Punto di infiammabilità (°C): 71 °C
• Punto di ebollizione (°C): 108°C/5mmHg(lit.)
• Peso molecolare: 161.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 161.033 Da
• Monoisotopic Mass: 161.033 Da
• Topological Polar Surface Area: 60.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 110.000
• 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

Domande frequenti

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 in a cool place.

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 20821-66-3, the molecular formula is C6H11NS2, and the molecular weight is 161.28 g/mol. InChIKey ZFMLVJCASVPGIT-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.