Cyano-N-methylthioformamide

Base Information

• Chemical Name: Cyano-N-methylthioformamide
• CAS No.: 13621-47-1
• Molecular Formula: C3H4 N2 S
• Molecular Weight: 100.144
• Hs Code.: 2930909090
• European Community (EC) Number: 237-105-8
• NSC Number: 363992
• UNII: H6VO42F2B4
• DSSTox Substance ID: DTXSID10159735
• Nikkaji Number: J277.960I
• Mol file: 13621-47-1.mol

Synonyms:1-Cyano-n-methylthioformamide;13621-47-1;Cyano-N-methylthioformamide;1-cyano-N-methylmethanethioamide;H6VO42F2B4;EINECS 237-105-8;NSC-363992;NSC363992;methylcarbamothioyl cyanide;Methylthiocarbamoyl cyanide;UNII-H6VO42F2B4;SCHEMBL1618565;DTXSID10159735;Carbonocyanidothioic amide, methyl-;AKOS006223484;NSC 363992;CARBONOCYANIDOTHIOIC AMIDE, N-METHYL-;FT-0636931;InChI=1/C3H4N2S/c1-5-3(6)2-4/h1H3,(H,5,6

Chemical Property of Cyano-N-methylthioformamide

Chemical Property:

• Vapor Pressure: 0.000471mmHg at 25°C
• Melting Point: 37-46 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 90-92 °C (0.1 mmHg)
• Flash Point: 143.9°C
• PSA: 67.91000
• Density: 1.174g/cm³
• LogP: 0.44768
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.00951931
• Heavy Atom Count: 6
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

1-CYANO-N-METHYLTHIOFORMAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T
• Statements: 36/37/38-20/21/22-25
• Safety Statements: 36/37/39-26-22-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)C#N

Technology Process of Cyano-N-methylthioformamide

There total 2 articles about Cyano-N-methylthioformamide 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: 30.0%

N-methylnitroacetamide (72078-82-1) → N2-methyl-thiooxalamide (41168-87-0) + N-methylcyanothioformamide (13621-47-1) + N-methyldithio-oxamide (16890-71-4)

Guidance literature:

With tetraphosphorus decasulfide; In 1,4-dioxane; at 40 ℃; for 2h; ultrasonication;

DOI:10.1016/S0040-4039(00)99198-6

Reference yield:

potassium cyanide (151-50-8) + methyl thioisocyanate (556-61-6) → N-methylcyanothioformamide (13621-47-1)

Guidance literature:

In water; acetone;

Reference yield: 81.0%

N-methylcyanothioformamide (13621-47-1) + phenyl isothiocyanate (103-72-0) → 1-phenyl-3-methyl-5-imino-2,4-imidazolidinedithione (97012-45-8)

Guidance literature:

With triethylamine; In ethanol; for 0.5h; Ambient temperature;

DOI:10.1021/jo00219a001

upstream raw materials:

potassium cyanide

methyl thioisocyanate

N-methylnitroacetamide

Downstream raw materials:

5-Imino-3-methyl-2-phenyl-oxazolidine-4-thione

1-phenyl-3-methyl-5-imino-2,4-imidazolidinedithione

bis(4-benzylideneamino-1-methyl-2-phenyl-imidazole)-5,5'-diyl disulfide

bis[4-(4-methoxybenzylideneamino)-1-methyl-2-(4-methoxyphenyl)-imidazole]-5,5'-diyl disulfide

Refernces