N,N'-Dicyclohexyldithiooxamide

Base Information

• Chemical Name: N,N'-Dicyclohexyldithiooxamide
• CAS No.: 122-36-1
• Molecular Formula: C14H24 N2 S2
• Molecular Weight: 284.49
• Hs Code.: 2930909090
• European Community (EC) Number: 204-537-3
• NSC Number: 44703
• UNII: 9GKC0KG8OH
• DSSTox Substance ID: DTXSID4059540
• Nikkaji Number: J297.774E
• Mol file: 122-36-1.mol

Synonyms:N,N'-Dicyclohexyldithiooxamide;122-36-1;N,N'-dicyclohexylethanedithioamide;Ethanedithioamide, N,N'-dicyclohexyl-;9GKC0KG8OH;Oxamide, N,N'-dicyclohexyldithio-;EINECS 204-537-3;NSC 44703;NSC-44703;N,N/'-DICYCLOHEXYLDITHIOOXAMIDE;Ethanedithioamide, N1,N2-dicyclohexyl-;AI3-50065;C14H24N2S2;NSC44703;Maybridge4_002861;UNII-9GKC0KG8OH;Oprea1_714809;N,N'-Dicyclohexyldithioxamide;Oxamide,N'-dicyclohexyldithio-;SCHEMBL3075946;N,N'-dicyclohexyl-dithiooxamide;DTXSID4059540;Ethanedithioamide,N'-dicyclohexyl-;HMS1529C01;N1,N2-dicyclohexylethanedithioamide;N,N/'-Dicyclohexylethanedithioamide;CCG-53598;STL582867;N,N'-dicyclohexylethanebis(thioamide);AKOS004906611;C14-H24-N2-S2;N1,N2-dicyclohexylethanebis(thioamide);NCGC00176474-01;FT-0631700;SR-01000642755-1;BRD-K18550238-001-01-1;BRD-K18550238-001-02-9

Chemical Property of N,N'-Dicyclohexyldithiooxamide

Chemical Property:

• Melting Point: 150-154 °C(lit.)
• Boiling Point: 394.2°Cat760mmHg
• PKA: 10.25±0.20(Predicted)
• Flash Point: 192.2°C
• PSA: 88.24000
• Density: 1.14g/cm³
• LogP: 4.26760
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 284.13809112
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

N,N'-DICYCLOHEXYLDITHIOOXAMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=S)C(=S)NC2CCCCC2

Technology Process of N,N'-Dicyclohexyldithiooxamide

There total 13 articles about N,N'-Dicyclohexyldithiooxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.7%

1,1,2,2-tetrachloroethylene (127-18-4) + cyclohexylamine (108-91-8,157973-60-9) → N,N'-dicyclohexyldithiooxamide (122-36-1)

Guidance literature:

With sulfur; In 2-methoxy-ethanol; N,N-dimethyl-formamide; at 100 ℃; for 16h; Solvent; Temperature; Time;

DOI:10.1134/S1070428020050097

Reference yield: 67.0%

cyclohexylamine (108-91-8,157973-60-9) + chloroacetonitrile (107-14-2) → N,N'-dicyclohexyldithiooxamide (122-36-1)

Guidance literature:

With sulfur; In N,N-dimethyl-formamide; at 70 ℃; for 8h;

Reference yield: 47.0%

sodium carbonocyanidodithioate (33498-03-2) + cyclohexylamine (108-91-8,157973-60-9) → N,N'-dicyclohexyldithiooxamide (122-36-1)

Guidance literature:

With diammonium sulfide; In water; at 0 - 5 ℃;

upstream raw materials:

-butyl vinyl ether

cyclohexylamine

Glyoxal

dithiooxamide

Downstream raw materials:

tris(N,N-diethyldithiocarbamato)cobalt(III)

tricarbonyl(N,N'-dicyclohexyldithiooxamide)(triphenylphosphine)molybdenum

tetracarbonyl(N,N'-dicyclohexyldithiooxamide)molybdenum

[SnCl₄(C₆H₁₁NHC(S)C(S)NHC₆H₁₁)]

Refernces

• 1、 Chalk,Smith. "-". . p. 1214,1216. Retrieved 1957.
• 2、 Drew, Michael G. B.,Kisenyi, Jonathan M.,Willey, Gerald R.,Wandiga, Shem O.. "STUDIES OF DIOXAMIDE AND DITHIO-OXAMIDE METAL COMPLEXES. PART 2. SYNTHESIS AND SPECTRAL CHARACTERISATION OF RNHC(S)C(S)NHR (R = ALKYL OR ARYL) COMPLEXES WITH SbX3 (X = Cl OR Br), BiCl3, SnX4 (X = Cl OR Br), AND TiCl4. CRYSTAL AND MOLECULAR STRUCTURES OF NN'-DI-ISOPROPYLDITHIO-OXAMIDE ...". . p. 1717 - 1722. Retrieved 2007/10/02.