Asomate - analytical standard , CAS No.3586-60-5

CAS: 3586-60-5 Cat. No.: A135617 Molecular Weight: 435.57 EC Number: 803-606-0

GRADE & PURITY Analytical standard

Synonyms

Asomate|3586-60-5|Arsenic dimethyldithiocarbamate|Tris(dimethyldithiocarbamoyl)arsine|bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate|Azomat|TDDA|BRN 1715928|Arsenic, (tris(dimethyldithiocarbamato))-|ARSINE, TRIS(DIMETHYLDITHIOCARBA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Asomate | 3586-60-5 | Arsenic dimethyldithiocarbamate | Tris(dimethyldithiocarbamoyl)arsine | bis(dimethylcarbamothioylsulfanyl)arsanyl N, N-dimethylcarbamodithioate | Azomat | TDDA | BRN 1715928 | Arsenic, (tris(dimethyldithiocarbamato))- | ARSINE, TRIS(DIMETHYLDITHIOCARBA

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C
• IUPAC Name: bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
• InChIKey: GAMFEMAXLMWCRG-UHFFFAOYSA-N
• INCHI: 1S/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3
• Isomeric SMILES: CN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C
• Molecular Weight: 435.57
• Reaxy-Rn: 1715928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1715928&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organoarsenic compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organoarsenic compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Trivalent organic arsenic compounds
• Alternative Parents: Sulfenyl compounds Organic metalloid salts Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trivalent organic arsenic compound - Organic metalloid salt - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trivalent organic arsenic compounds. These are organoarsenic compounds in which a carbon is linked to a trivalent arsenic atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 435.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 434.904 Da
• Monoisotopic Mass: 434.904 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• 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

XLogP3

References

1. Lina Zhao, Zhengdong Sun, Ye Shen, Zhiyang Chen, Yang Zhang, Jiyong Shi, Haroon Elrasheid Tahir, Xuechao Xu, Meng Zhang, Xiaobo Zou, Kaiyi Zheng.  (2025)  Flexible TiO2/ZrO2/AuCNAs Surface-Enhanced Raman Scattering Substrates for the Detection of Asomate in Apple Peel.  Foods,  14  (12): (2062).  [PMID:40565671] [10.3390/foods14122062]