Butyl (((dimethylamino)thioxomethyl)thio)acetate

Base Information

• Chemical Name: Butyl (((dimethylamino)thioxomethyl)thio)acetate
• CAS No.: 70031-49-1
• Molecular Formula: C9H17 N O2 S2
• Molecular Weight: 235.371
• European Community (EC) Number: 274-286-2
• DSSTox Substance ID: DTXSID70990282
• Nikkaji Number: J318.109J
• Wikidata: Q82979684
• Mol file: 70031-49-1.mol

Synonyms:70031-49-1;Butyl (((dimethylamino)thioxomethyl)thio)acetate;EINECS 274-286-2;AI3-22899;BUTYL [[(DIMETHYLAMINO)THIOXOMETHYL]THIO]ACETATE;DTXSID70990282;Butyl [(dimethylcarbamothioyl)sulfanyl]acetate;[[(Dimethylamino)thioxomethyl]thio]acetic acid butyl ester;Acetic acid, (((dimethylamino)thioxomethyl)thio)-, butyl ester

Chemical Property of Butyl (((dimethylamino)thioxomethyl)thio)acetate

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Boiling Point: 297.3°C at 760 mmHg
• Flash Point: 133.6°C
• PSA: 86.93000
• Density: 1.138g/cm³
• LogP: 1.90940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 235.07007113
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CSC(=S)N(C)C

Technology Process of Butyl (((dimethylamino)thioxomethyl)thio)acetate

There total 2 articles about Butyl (((dimethylamino)thioxomethyl)thio)acetate 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:

S-(Dimethylthiocarbamoyl)thioglycolonitrile (61540-35-0) → dimethylthiocarbamoylsulfanyl-acetic acid butyl ester (70031-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid / anschliessendes Behandeln mit wss.Natriumcarbonat-Loesung

2: unter Entfernen des entstehenden Wassers

With sulfuric acid;

Reference yield:

2-{[(dimethylamino)carbothioyl]sulfanyl}ethanoic acid (4007-01-6) + butan-1-ol (71-36-3) → dimethylthiocarbamoylsulfanyl-acetic acid butyl ester (70031-49-1)

Guidance literature:

unter Entfernen des entstehenden Wassers;

upstream raw materials:

2-{[(dimethylamino)carbothioyl]sulfanyl}ethanoic acid

butan-1-ol

S-(Dimethylthiocarbamoyl)thioglycolonitrile