Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl-

Base Information

• Chemical Name: Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl-
• CAS No.: 355120-40-0
• Molecular Formula: C9H14O4S3
• Molecular Weight: 282.40
• Hs Code.: 2930909899
• European Community (EC) Number: 815-383-7
• Nikkaji Number: J1.795.171H
• Mol file: 355120-40-0.mol

Synonyms:355120-40-0;Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl-;2,2'-[CARBONOTHIOYLBIS(THIO)]BIS[2-METHYLPROPANOIC ACID];2-(2-carboxypropan-2-ylsulfanylcarbothioylsulfanyl)-2-methylpropanoic acid;2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid);SCHEMBL760267;MFCD10698866;AKOS028108844;A901806;2,2-[(Thioxomethylene)disulfanyl]bis(2-methylpropanoic acid);2-({[(1-CARBOXY-1-METHYLETHYL)SULFANYL]METHANETHIOYL}SULFANYL)-2-METHYLPROPANOIC ACID

Chemical Property of Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl-

Chemical Property:

• Melting Point: 178℃
• Boiling Point: 495.4oC at 760 mmHg
• Flash Point: 253.4oC
• PSA: 157.29000
• Density: 1.416g/cm3
• LogP: 2.46410
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 282.00542244
• Heavy Atom Count: 16
• Complexity: 293

Purity/Quality:

98%, ^*data from raw suppliers

2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)SC(=S)SC(C)(C)C(=O)O

Technology Process of Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl-

There total 2 articles about Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl- 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: 42.0%

carbon disulfide (75-15-0,12122-00-8) + chloroform (67-66-3,8013-54-5) + acetone (67-64-1) → S,S'-bis(α,α'-dimethyl-α-acetic acid)-trithiocarbonate (355120-40-0)

Guidance literature:

carbon disulfide; chloroform; acetone; With tetra(n-butyl)ammonium hydrogensulfate; In mineral oil; for 0.166667h; Cooling with ice; Inert atmosphere;

With sodium hydroxide; In water; mineral oil; at 20 ℃; for 13.66h; Inert atmosphere;

DOI:10.1039/c4ra07987f

Reference yield: 21.0%

carbon disulfide (75-15-0,12122-00-8) + acetone (67-64-1) → S,S'-bis(α,α'-dimethyl-α-acetic acid)-trithiocarbonate (355120-40-0)

Guidance literature:

carbon disulfide; acetone; With Trimethyldecylammonium bromide; In hexane; chloroform; at 10 ℃; Inert atmosphere;

With sodium hydroxide; In hexane; chloroform; at 25 ℃; Inert atmosphere;

With hydrogenchloride; water; In hexane; chloroform; for 0.5h; Inert atmosphere;

DOI:10.3762/bjoc.6.66

Reference yield: 93.0%

S,S'-bis(α,α'-dimethyl-α-acetic acid)-trithiocarbonate (355120-40-0) + 4-[4-(6-hydroxyhexyloxy)phenylazo]benzene (162844-58-8) → bis(6-(4-(phenyldiazenyl)phenoxy)hexyl)-2,2′-(thiocarbonylbis(sulfanediyl))bis(2-methylpropanoate) (1421706-02-6)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 40 ℃;

DOI:10.1021/ma302386w

upstream raw materials:

carbon disulfide

chloroform

acetone

Downstream raw materials:

bis(6-(4-(phenyldiazenyl)phenoxy)hexyl)-2,2′-(thiocarbonylbis(sulfanediyl))bis(2-methylpropanoate)