Tris(methylthio)methane

Base Information

• Chemical Name: Tris(methylthio)methane
• CAS No.: 5418-86-0
• Molecular Formula: C4H10S3
• Molecular Weight: 154.321
• Hs Code.: 29309099
• European Community (EC) Number: 629-033-4
• NSC Number: 10536
• DSSTox Substance ID: DTXSID60202528
• Nikkaji Number: J100.186H
• Wikidata: Q4030697
• Mol file: 5418-86-0.mol

Synonyms:Tris(methylthio)methane;5418-86-0;Tris(methylsulfanyl)methane;Methane, tris(methylthio)-;Trimethyl trithioorthoformate;Trithiomethoxymethane;3-Methylthio-2,4-Dithiapentane;Methyl orthotrithioformate;Orthoformic acid, trithio-, trimethyl ester;tri(methylthio)methane;Tris(methythio)methane;Tris(methylsulfanyl)methane #;Tris(methylthio)methane, 98%;SCHEMBL1713361;DTXSID60202528;Tris(methylthio)methane, >=98%;NSC10536;MFCD00009851;NSC 10536;NSC-10536;AS-81761;FT-0635692;D86362;Q4030697

Chemical Property of Tris(methylthio)methane

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.153mmHg at 25°C
• Melting Point: 16 °C(lit.)
• Refractive Index: n20/D 1.577(lit.)
• Boiling Point: 222.2 °C at 760 mmHg
• Flash Point: 95.6 °C
• PSA: 75.90000
• Density: 1.127 g/cm³
• LogP: 2.35900
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.99446384
• Heavy Atom Count: 7
• Complexity: 28.4

Purity/Quality:

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

Tris(methylthio)methane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC(SC)SC
• Uses: Tris(methylthio)methane has been used in synthesis of:(?)-nephrosteranic acid and (?)-roccellaric acid(4R,5R)-5-({[1-(tert-butyl)-1,1-diphenylsilyl]oxy}methyl)4-[tri(methylthio)methyl]tetrahydro-furan-2-oneterminal difluoromethylenes

Technology Process of Tris(methylthio)methane

There total 5 articles about Tris(methylthio)methane 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: 70.0%

bis(methylthio)(methylsulfinyl)methane (66625-01-2) → Dimethyldisulphide (624-92-0) + tris(methylthio)methane (5418-86-0) + S-methyl methanethiosulfinate (13882-12-7) + S-methyl thioformate (27798-35-2)

Guidance literature:

for 144h; Ambient temperature;

DOI:10.1016/S0040-4020(96)01071-X

Reference yield:

tetrachloromethane (56-23-5) + sodium thiomethoxide (5188-07-8) → Dimethyldisulphide (624-92-0) + tris(methylthio)methane (5418-86-0)

Guidance literature:

With ethanol;

Reference yield:

tetrachloromethane (56-23-5) + ethanol (64-17-5) + sodium thiomethoxide (5188-07-8) → Dimethyldisulphide (624-92-0) + tris(methylthio)methane (5418-86-0)

Guidance literature:

upstream raw materials:

tetrachloromethane

ethanol

sodium thiomethoxide

bis(methylthio)(methylsulfinyl)methane

Downstream raw materials:

1,1,2-Tris-methylmercapto-3-(4-methoxy-phenyl)-propanon-(3)

1,1,2-Tris-methylmercapto-3-<4-nitro-phenyl>-propanon-(3)

1,1,2-Tris-methylmercapto-3-<2-chlor-phenyl>-propanon-(3)

chlordimethylmercaptomethan