Dichloro(methylsulfanyl)methane

Base Information

• Chemical Name: Dichloro(methylsulfanyl)methane
• CAS No.: 2032-76-0
• Molecular Formula: C2H4Cl2S
• Molecular Weight: 131.026
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50400430
• Nikkaji Number: J619.051K
• Wikidata: Q82203412
• Mol file: 2032-76-0.mol

Synonyms:dichloro(methylsulfanyl)methane;2032-76-0;Methane, dichloro(methylthio)- (9CI);DICHLOROMETHYL METHYL SULFIDE;a,a-dichlorodimethyl sulfide;Dichloromethyl(methyl) sulfide;SCHEMBL3004115;DTXSID50400430;STL453625;AKOS006227867

Chemical Property of Dichloro(methylsulfanyl)methane

Chemical Property:

• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 60 °C/50 mmHg(lit.)
• Flash Point: 41 °C
• PSA: 25.30000
• Density: 1.37 g/mL at 25 °C(lit.)
• LogP: 2.11060
• Solubility.: Chloroform
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 129.9410767
• Heavy Atom Count: 5
• Complexity: 21.6

Purity/Quality:

99%, ^*data from raw suppliers

(Methylthio)dichloromethane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16-26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(Cl)Cl
• Uses: (Methylthio)dichloromethane is an intermediate in the synthesis of 4-Hydroxy-benzaldehyde-1,2,3,4,5,6-13C6 (H828974), an intermediate in the synthesis of Thyroxine-13C6 4’-O-β-D-Glucuronide Disodium Salt, which is labelled Thyroxine 4’-O-β-D-Glucuronide (T425630), a major metabolite and glucuronide conjugate of Thyroxine (T425600) formed via the glucuronidation of the phenyl hydroxyl group.

Technology Process of Dichloro(methylsulfanyl)methane

There total 2 articles about Dichloro(methylsulfanyl)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:

thionyl chloride (7719-09-7) + dimethylsulfide (75-18-3) → chloro-methylsulfanyl-methane (2373-51-5) + dichloromethyl-methyl sulfide (2032-76-0)

Guidance literature:

DOI:10.1021/ja01134a037

Reference yield:

dimethylsulfide (75-18-3) + phosphorus pentachloride (10026-13-8,874483-75-7) → chloro-methylsulfanyl-methane (2373-51-5) + dichloromethyl-methyl sulfide (2032-76-0)

Guidance literature:

Reference yield: 44.0%

dichloromethyl-methyl sulfide (2032-76-0) + benzaldehyde (100-52-7) → β-methylthio,β-chlorostyrene (127924-12-3)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; triphenylphosphine; In benzene; at 20 - 30 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)91800-9

upstream raw materials:

thionyl chloride

dimethylsulfide

phosphorus pentachloride

Downstream raw materials:

Trithio-orthoameisensaeure-methyldiaethylester

1,1-dichloro-2-thiapropane-2,2-dioxide

2,4-dihydroxy-6-methylbenzaldehyde

2,4,6-trihydroxybenzaldehyde