N,N-Dimethyl-N-(methylsulfanylmethylene)ammonium Iodide - ≥98% , CAS No.29085-13-0

CAS: 29085-13-0 Cat. No.: N159638 Molecular Weight: 231.1 EC Number: 693-655-2 PubChem CID: 12347574

GRADE & PURITY ≥98%

Synonyms

N,N-Dimethyl(methylsulfanyl)methaniminium iodide | N,N-Dimethyl-N-(methylsulfanylmethylene)iminium Iodide | N,N-Dimethyl-N-(methylsulfanylmethylene)ammonium iodide, 95% | N,N-Dimethyl-N-(methylsulfanylmethylene)ammonium iodide | D4340 | DTXSID90492930 | S

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

N, N-Dimethyl(methylsulfanyl)methaniminium iodide | N, N-Dimethyl-N-(methylsulfanylmethylene)iminium Iodide | N, N-Dimethyl-N-(methylsulfanylmethylene)ammonium iodide, 95% | N, N-Dimethyl-N-(methylsulfanylmethylene)ammonium iodide | D4340 | DTXSID90492930 | S

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[N+](=CSC)C.[I-]
• IUPAC Name: dimethyl(methylsulfanylmethylidene)azanium;iodide
• InChIKey: BPBAGFOLLWBKGJ-UHFFFAOYSA-M
• INCHI: 1S/C4H10NS.HI/c1-5(2)4-6-3;/h4H,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](=CSC)C.[I-]
• WGK Germany: 3
• PubChem CID: 12347574
• Molecular Weight: 231.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Propargyl-type 1,3-dipolar organic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Propargyl-type 1,3-dipolar organic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Propargyl-type 1,3-dipolar organic compounds
• Alternative Parents: Sulfenyl compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as propargyl-type 1,3-dipolar organic compounds. These are organic 1,3-dipolar compounds with the general structure X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O).
• 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

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 125 °C
• Molecular Weight: 231.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.958 Da
• Monoisotopic Mass: 230.958 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.600
• 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: 2

XLogP3