(Methylthio)acetonitrile

Base Information

• Chemical Name: (Methylthio)acetonitrile
• CAS No.: 35120-10-6
• Molecular Formula: C3H5 N S
• Molecular Weight: 87.1454
• Hs Code.: 2930909090
• European Community (EC) Number: 252-383-0
• NSC Number: 207831
• DSSTox Substance ID: DTXSID30188623
• Nikkaji Number: J208.750B
• Wikidata: Q83060437
• Mol file: 35120-10-6.mol

Synonyms:(Methylthio)acetonitrile;35120-10-6;Methylthioacetonitrile;(Methylthio)-acetonitrile;Acetonitrile, (methylthio)-;2-(methylsulfanyl)acetonitrile;2-methylsulfanylacetonitrile;EINECS 252-383-0;MFCD00001925;NSC207831;CH3SCH2CN;C23H44NO2.Br;(Methylsulfanyl)acetonitrile #;(Methylthio)acetonitrile, 99%;C23-H44-N-O2.Br;DTXSID30188623;AKOS005255357;NSC 207831;NSC-207831;CS-0204347;FT-0604988;M0941;EN300-64959;D91408;J-019951

Chemical Property of (Methylthio)acetonitrile

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 1.8mmHg at 25°C
• Refractive Index: n20/D 1.483(lit.)
• Boiling Point: 166.3°Cat760mmHg
• Flash Point: 67.8°C
• PSA: 49.09000
• Density: 1.02g/cm³
• LogP: 0.87298
• Storage Temp.: Refrigerator
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.01427034
• Heavy Atom Count: 5
• Complexity: 51.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Methylthio)acetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37
• Safety Statements: 23-27-28-36/37/39-38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC#N

Technology Process of (Methylthio)acetonitrile

There total 7 articles about (Methylthio)acetonitrile 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: 50.0%

S-methylthioacetimidate hydroiodide (77900-13-1) → methylthioacetonitrile (35120-10-6)

Guidance literature:

With sodium hydroxide; In benzene;

Reference yield:

S-methylthioacetimidate hydroiodide (77900-13-1) + chloroacetonitrile (107-14-2) → Dimethyldisulphide (624-92-0) + methylthioacetonitrile (35120-10-6)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 9h; Ambient temperature;

Reference yield:

methylthiol (74-93-1) + chloroacetonitrile (107-14-2) → methylthioacetonitrile (35120-10-6)

Guidance literature:

With sodium hydroxide; at -17 ℃;

upstream raw materials:

2-(methylthio)acetamide

methylthiol

chloroacetonitrile

sodium thiomethoxide

Downstream raw materials:

methanesulfinyl-acetonitrile

methanesulfonyl-acetonitrile

2-Methylsulfanyl-acetimidic acid methyl ester

(l)-N-[3-(4-(2-Cyano-2-methylsulfenylethenyl)phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide

Refernces

• 1、 Hancock, James Reid,Hardstaff, William Rayne,Johns, Paul Alan,Langler, Richard Francis,Mantle, William Stanley. "Regiochemistry and reactivity in the chlorination of sulfides". . p. 1472 - 1480. Retrieved 2007/10/02.
• 2、 Agawa, Toshio,Yoshida, Yasuo,Komatsu, Mitsuo,Ohshiro, Yoshiki. "Reaction of Vinyl Sulphone with α-Metallated Nitriles". . p. 751 - 755. Retrieved 2007/10/02.