Carbonodithioic acid, S-methyl O-(1-methylethyl) ester

Base Information

• Chemical Name: Carbonodithioic acid, S-methyl O-(1-methylethyl) ester
• CAS No.: 35200-02-3
• Molecular Formula: C5H10 O S2
• Molecular Weight: 150.266
• Hs Code.: 2930902000
• European Community (EC) Number: 252-428-4
• UNII: NVW4M5APX5
• DSSTox Substance ID: DTXSID0067896
• Nikkaji Number: J289.929I
• Wikidata: Q81994560
• Mol file: 35200-02-3.mol

Synonyms:35200-02-3;O-Isopropyl S-methyl dithiocarbonate;Carbonodithioic acid, S-methyl O-(1-methylethyl) ester;EINECS 252-428-4;NVW4M5APX5;(methylsulfanyl)(propan-2-yloxy)methanethione;methyl methylxanthate;UNII-NVW4M5APX5;DTXSID0067896;SCHEMBL10922982;ISOPROPYL S-METHYL XANTHATE;O-ISOPROPYL S-METHYL XANTHATE;S-METHYL O-ISOPROPYL XANTHATE;AKOS006228907;isopropyl (methylsulfanyl)methanethioate;S-METHYL O-ISOPROPYL DITHIOCARBONATE

Chemical Property of Carbonodithioic acid, S-methyl O-(1-methylethyl) ester

Chemical Property:

• Vapor Pressure: 0.674mmHg at 25°C
• Boiling Point: 192.6°Cat760mmHg
• Flash Point: 70.3°C
• PSA: 66.62000
• Density: 1.098g/cm³
• LogP: 2.05930
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 150.01730729
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

98%Min ^*data from raw suppliers

O-ISOPROPYL-S-METHYL DITHIOCARBONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=S)SC

Technology Process of Carbonodithioic acid, S-methyl O-(1-methylethyl) ester

There total 5 articles about Carbonodithioic acid, S-methyl O-(1-methylethyl) ester 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: 97.0%

1H-imidazole-1-carbodithioic acid methyl ester (74734-11-5) + isopropyl alcohol (67-63-0,8013-70-5) → O-isopropyl S-methyl xanthate (35200-02-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; paraffin; for 1h; Ambient temperature;

DOI:10.1055/s-1997-1019

Reference yield: 85.0%

carbon disulfide (75-15-0,12122-00-8) + isopropyl alcohol (67-63-0,8013-70-5) + methyl iodide (74-88-4) → O-isopropyl S-methyl xanthate (35200-02-3)

Guidance literature:

carbon disulfide; isopropyl alcohol; In dimethyl sulfoxide; at 20 ℃; for 0.333333h;

With N-benzyl-trimethylammonium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 1h;

methyl iodide; In dimethyl sulfoxide; at 20 ℃; for 2.5h;

DOI:10.1007/s00706-006-0514-0

Reference yield:

methyl iodide (74-88-4) → O-isopropyl S-methyl xanthate (35200-02-3)

Guidance literature:

With methanol;

upstream raw materials:

carbon disulfide

isopropyl alcohol

methyl iodide

potassium isopropylxanthate

Downstream raw materials:

S,S-dimethyl dithiocarbonate

S-Isopropyl S-methyl dithiocarbonate

S,S-diisopropyl dithiocarbonate

Methanesulfenyl chloride