Dimethyl cyanocarbonimidodithioate

Base Information

• Chemical Name: Dimethyl cyanocarbonimidodithioate
• CAS No.: 10191-60-3
• Molecular Formula: C4H6N2S2
• Molecular Weight: 146.237
• Hs Code.: 29309090
• European Community (EC) Number: 233-467-6
• NSC Number: 145987
• UNII: 9FOJ4L7GGN
• DSSTox Substance ID: DTXSID3064986
• Nikkaji Number: J208.415E
• Mol file: 10191-60-3.mol

Synonyms:dimethyl cyanocarbonimidodithioate;DMCCT

Chemical Property of Dimethyl cyanocarbonimidodithioate

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 0.0691mmHg at 25°C
• Melting Point: 45-50 °C(lit.)
• Refractive Index: 1.571
• Boiling Point: 229.6 °C at 760 mmHg
• PKA: -5.10±0.50(Predicted)
• Flash Point: 92.6 °C
• PSA: 86.75000
• Density: 1.16 g/cm³
• LogP: 1.54948
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Slightly soluble in methanol.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.99724055
• Heavy Atom Count: 8
• Complexity: 126

Purity/Quality:

99%min ^*data from raw suppliers

N-Cyanoimido-S,S-dimethyl-dithiocarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T
• Statements: 22-34-23/24/25-36/37
• Safety Statements: 26-36/37/39-45-38-28A-7/9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=NC#N)SC
• Uses: Dimethyl cyanodithioiminocarbonate has been used in the synthesis of 4-methylthiopyrazolo[1,5-a]-1,3,5-triazines, methylsulfanylpyrimidines, cyanoguanidines and N-aryl-6-methylsulfanyl-4-oxopyrimidine-5-carbonitriles. It has been also used in the synthesis of methylsulfanyl derivatives of azoloazines and azoloazoles.

Technology Process of Dimethyl cyanocarbonimidodithioate

There total 16 articles about Dimethyl cyanocarbonimidodithioate 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: 93.0%

carbon disulfide (75-15-0,12122-00-8) + CYANAMID (420-04-2) + dimethyl sulfate (77-78-1) → dimethyl N-cyanodithioiminocarbonate (10191-60-3)

Guidance literature:

CYANAMID; With potassium hydroxide; In acetone; for 0.25h;

carbon disulfide; In acetone; at 10 - 15 ℃; for 2h;

dimethyl sulfate; at 40 - 45 ℃; for 6h;

Reference yield: 89.0%

methylene chloride (74-87-3) + Cyanimidokohlensaeure (35042-86-5) → dimethyl N-cyanodithioiminocarbonate (10191-60-3)

Guidance literature:

In methanol; 1.) 30 deg C, 58 min, 2.) 64 deg C, 1 h;

DOI:10.1080/00304949809355315

Reference yield: 82.0%

carbon disulfide (75-15-0,12122-00-8) + calcium cyanamide (156-62-7) + dimethyl sulfate (77-78-1) → dimethyl N-cyanodithioiminocarbonate (10191-60-3)

Guidance literature:

carbon disulfide; calcium cyanamide; With sodium carbonate; In water; at 40 - 45 ℃; for 5h;

dimethyl sulfate; at 0 - 20 ℃; for 2h;

DOI:10.1007/s10870-019-00795-4

upstream raw materials:

potassium S-methyl N-cyanocarbamodithioate

dimethyl sulfate

methyl iodide

carbon disulfide

Downstream raw materials:

N-cyano-N'-cyclohexyl-S-methylcarbamimidothioate

2-(N-cyanoimino)thiazolidine

methyl N-cyano-N'-(phenyl-2-pyridinylmethyl)carbamimidothioate

C₁₆H₁₆N₄S

Refernces

• 1、 Elgemeie, Galal H.,Salah, Ali M.,Abbas, Nermeen S.,Hussein, Hoda A.,Mohamed, Reham A.. "Pyrimidine non-nucleoside analogs: A direct synthesis of a novel class of N-substituted amino and N-sulfonamide derivatives of pyrimidines". . p. 213 - 223. Retrieved 2017.
• 2、 Wang, Jun-Ling,Ma, Sen,Zhang, Pei-Zhi,Jia, Ai-Quan,Zhang, Qian-Feng. "Syntheses and Crystal Structures of Methyl N-Substituted-N′-Cyanocarbamimidothioates Derived from Dimethyl N-Cyanodithioiminocarbonate". . p. 295 - 302. Retrieved 2019/07/17.